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Product No: AA0298

tert-Butyl carbamate, 98%

Name: tert-Butyl carbamate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

4248-19-5

Molecular Weight

117.15

Formula

C₅H₁₁NO₂

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About this item

IUPAC name	tert-butyl carbamate
canonical smiles	CC(C)(C)OC(=O)N
inchi	InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
inchi key	LFKDJXLFVYVEFG-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	tert-Butyl carbamate 4248-19-5 T-butyl carbamate Carbamic Acid tert-Butyl Ester Boc-amide

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	93.1
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

Related Compounds

Urethane

Isovaleraldehyde

Methyl isobutyl ketone

Isopropyl acetate

Mesityl oxide

3-Methyl-2-butanone

1-Ethyl-1-nitrosourea

3-Methyl-2-butenal

Ethyl isovalerate

Isopropyl formate

N-Nitroso-N-methylurea

Pinacolone

2-Cyanoacetamide

Tert-butyl acetate

Butyramide

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (60%) Eye Irrit. 2A (100%) STOT SE 3 (80%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*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	tert-butyl carbamate
canonical smiles	CC(C)(C)OC(=O)N
inchi	InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
inchi key	LFKDJXLFVYVEFG-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	tert-Butyl carbamate 4248-19-5 T-butyl carbamate Carbamic Acid tert-Butyl Ester Boc-amide

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	93.1
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

Related Compounds

Urethane

Isovaleraldehyde

Methyl isobutyl ketone

Isopropyl acetate

Mesityl oxide

3-Methyl-2-butanone

1-Ethyl-1-nitrosourea

3-Methyl-2-butenal

Ethyl isovalerate

Isopropyl formate

N-Nitroso-N-methylurea

Pinacolone

2-Cyanoacetamide

Tert-butyl acetate

Butyramide

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (60%) Eye Irrit. 2A (100%) STOT SE 3 (80%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AA0298

tert-Butyl carbamate, 98%

Product No: AA0298

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA0298

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?