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3-Aminoazepan-2-one

3-Aminoazepan-2-one structure

CAS No:
671-42-1
Formula:
C6H12N2O
Chemical Name:
3-Aminoazepan-2-one
Synonyms:
2H-Azepin-2-one,3-aminohexahydro-;3-Aminohexahydro-2H-azepin-2-one;α-Amino-ε-caprolactam;3-Amino-1-azacycloheptan-2-one;α-Aminocaprolactam;3-Aminoperhydro-2-azepinone;3-Amino-ε-caprolactam;DL-α-Amino-ε-caprolactam;DL-α-Aminocaprolactam;(±)-α-Amino-ε-caprolactam;(±)-α-Aminocaprolactam;dl-α-Amino-ε-caprolactam;3-Amino-2-oxohomopiperidine;NSC 522223;3-Aminoazepan-2-one;2-Oxoazepan-3-amine;17929-90-7
Categories:
Organic Chemistry > Amides

Description

ChEBI: An amino acid amide obtained by the intramolecular condensation of the terminal amino group with the carboxy group in lysine.

2-aminohexano-6-lactam is an amino acid amide obtained by the intramolecular condensation of the terminal amino group with the carboxy group in lysine. It is a member of caprolactams and an amino acid amide. It derives from an epsilon-caprolactam.

3-Aminoazepan-2-one Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

EC Number：

211-584-3

NSC Number：

522223

Characteristics

PSA：

55.1

XLogP3：

-1.64

Density：

1.0±0.1 g/cm3

Melting Point：

68-69 °C @ Solvent: Diethyl ether

Boiling Point：

165-168 °C @ Press: 12 Torr

Flash Point：

144.4±25.9 °C

Refractive Index：

1.470

Safety Information

Transport codes：

UN 3263 8/PG 3

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302+H332

GHS Classification：

|Warning|H302+H332 (92.68%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Aminoazepan-2-one Use and Manufacturing

Manufacturing Info：

2H-Azepin-2-one, 3-aminohexahydro-: ACTIVE

Computed Properties

Molecular Weight:128.17
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:128.094963011
Monoisotopic Mass:128.094963011
Topological Polar Surface Area:55.1
Heavy Atom Count:9
Complexity:114
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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