3-[(2S)-1-nitrosopiperidin-2-yl]pyridine, 95%

Name: 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
Brand: Chempure

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CAS Number

1133-64-8

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IUPAC name	3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
inchi	InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
inchi key	BXYPVKMROLGXJI-JTQLQIEISA-N
molecular formula	C10H13N3O
synonyms	1133-64-8 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine (R,s)-n-nitrosoanabasine 1-Nitrosoanabasine N-NITROSOANABASINE
Compound Description	3-[-1-nitrosopiperidin-2-yl]pyridine has been reported in Nicotiana tabacum with data available.

Computed Properties

Molecular Weight:	191.23 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	191.105862047 g/mol
Monoisotopic Mass:	191.105862047 g/mol
Topological Polar Surface Area:	45.6 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	198
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
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	Acute Tox. 3 (25%) Acute Tox. 4 (25%) Skin Irrit. 2 (25%) Eye Irrit. 2A (25%) STOT SE 3 (25%) Muta. 2 (25%) Carc. 2 (25%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (25%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (25%): Suspected of causing cancer [Warning Carcinogenicity]

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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	3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
inchi	InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
inchi key	BXYPVKMROLGXJI-JTQLQIEISA-N
molecular formula	C10H13N3O
synonyms	1133-64-8 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine (R,s)-n-nitrosoanabasine 1-Nitrosoanabasine N-NITROSOANABASINE
Compound Description	3-[-1-nitrosopiperidin-2-yl]pyridine has been reported in Nicotiana tabacum with data available.

Computed Properties

Molecular Weight:	191.23 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	191.105862047 g/mol
Monoisotopic Mass:	191.105862047 g/mol
Topological Polar Surface Area:	45.6 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	198
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
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	Acute Tox. 3 (25%) Acute Tox. 4 (25%) Skin Irrit. 2 (25%) Eye Irrit. 2A (25%) STOT SE 3 (25%) Muta. 2 (25%) Carc. 2 (25%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (25%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (25%): Suspected of causing cancer [Warning Carcinogenicity]

Product No: BA3779

3-[(2S)-1-nitrosopiperidin-2-yl]pyridine, 95%

Product No: BA3779

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BA3779

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?