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Product No: BA1164

N-Nitrosodiethanolamine, >97.0%

Name: N-Nitrosodiethanolamine
Brand: Chempure

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CAS Number

1116-54-7

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IUPAC name	N,N-bis(2-hydroxyethyl)nitrous amide
inchi	InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
inchi key	YFCDLVPYFMHRQZ-UHFFFAOYSA-N
molecular formula	C4H10N2O3
synonyms	N-NITROSODIETHANOLAMINE 1116-54-7 Ndela Diethanolnitrosamine 2,2'-(Nitrosoimino)bisethanol
Compound Description	n-Nitrosodiethanolamine can cause cancer according to an independent committee of scientific and health experts. N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. N-Nitrosodiethanolamine is a nitroso compound. N-Nitrosodiethanolamine has been reported in Nicotiana tabacum with data available. N-Nitrosodiethanolamine is a pale yellow, oily liquid nitrosamine with a characteristic odor that is light sensitive and emits toxic fumes of nitrogen oxides when heated to decomposition. N-Nitrosodi-n-butylamine is primarily used in laboratory research to induce tumors in experimental animals, but is also used as an intermediate in the synthesis of di-n-butylhydrazine. This substance is detected in various foods, including smoked meats, cheese and soybean oil, as a result of nitrosation of amines that are present in these products and is detected as a contaminant in rubber products. Exposure to N-Nitrosodi-n-butylamine irritates the skin and eyes and may damage the liver and kidneys. This substance is mutagenic in animals and is reasonably anticipated to be a human carcinogen.

Computed Properties

Molecular Weight:	134.13 g/mol
XLogP3:	-1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	134.06914219 g/mol
Monoisotopic Mass:	134.06914219 g/mol
Topological Polar Surface Area:	73.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	72.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (29.5%) Carc. 1B (100%) Carcinogenicity - category 1B Flammable liquids - Category 2 Carcinogenicity - Category 2 Carcinogens Carc. 1B
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (29.5%): Highly Flammable liquid and vapor [Danger Flammable liquids] H350 (100%): May cause cancer [Danger Carcinogenicity]
hazards summary	Danger of cutaneous absorption. May be harmful by contact with skin or eyes, as well as by inhalation or ingestion. An irritant. Vapors may cause drowsiness. Causes kidney and nerve injury in high-dose animal studies.

symptoms
carcinogen classification	IARC Carcinogenic Agent: N-Nitrosodiethanolamine
carcinogen classification	IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans
carcinogen classification	IARC Monographs: Volume 17: Some N-Nitroso CompoundsVolume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 Volume 77: Some Industrial Chemicals

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	N,N-bis(2-hydroxyethyl)nitrous amide
inchi	InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
inchi key	YFCDLVPYFMHRQZ-UHFFFAOYSA-N
molecular formula	C4H10N2O3
synonyms	N-NITROSODIETHANOLAMINE 1116-54-7 Ndela Diethanolnitrosamine 2,2'-(Nitrosoimino)bisethanol
Compound Description	n-Nitrosodiethanolamine can cause cancer according to an independent committee of scientific and health experts. N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. N-Nitrosodiethanolamine is a nitroso compound. N-Nitrosodiethanolamine has been reported in Nicotiana tabacum with data available. N-Nitrosodiethanolamine is a pale yellow, oily liquid nitrosamine with a characteristic odor that is light sensitive and emits toxic fumes of nitrogen oxides when heated to decomposition. N-Nitrosodi-n-butylamine is primarily used in laboratory research to induce tumors in experimental animals, but is also used as an intermediate in the synthesis of di-n-butylhydrazine. This substance is detected in various foods, including smoked meats, cheese and soybean oil, as a result of nitrosation of amines that are present in these products and is detected as a contaminant in rubber products. Exposure to N-Nitrosodi-n-butylamine irritates the skin and eyes and may damage the liver and kidneys. This substance is mutagenic in animals and is reasonably anticipated to be a human carcinogen.

Computed Properties

Molecular Weight:	134.13 g/mol
XLogP3:	-1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	134.06914219 g/mol
Monoisotopic Mass:	134.06914219 g/mol
Topological Polar Surface Area:	73.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	72.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (29.5%) Carc. 1B (100%) Carcinogenicity - category 1B Flammable liquids - Category 2 Carcinogenicity - Category 2 Carcinogens Carc. 1B
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (29.5%): Highly Flammable liquid and vapor [Danger Flammable liquids] H350 (100%): May cause cancer [Danger Carcinogenicity]
hazards summary	Danger of cutaneous absorption. May be harmful by contact with skin or eyes, as well as by inhalation or ingestion. An irritant. Vapors may cause drowsiness. Causes kidney and nerve injury in high-dose animal studies.

symptoms
carcinogen classification	IARC Carcinogenic Agent: N-Nitrosodiethanolamine
carcinogen classification	IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans
carcinogen classification	IARC Monographs: Volume 17: Some N-Nitroso CompoundsVolume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 Volume 77: Some Industrial Chemicals

Product No: BA1164

N-Nitrosodiethanolamine, >97.0%

Product No: BA1164

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BA1164

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?