(R)-3-Amino-2-azepanone supplier

Name
D-alpha-Amino-epsilon-caprolactam
EINECS 674-645-7
CAS No. 28957-33-7
Article Data5
CAS DataBase
Density 1.031 g/cm³
Solubility
Melting Point 97-101 °C
Formula C₆H₁₂N₂O
Boiling Point 315.124 °C at 760 mmHg
Molecular Weight 128.174
Flash Point 144.382 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms 2H-Azepin-2-one,3-aminohexahydro-, (R)-;2H-Azepin-2-one, 3-aminohexahydro-, D-(+)- (8CI);(+)-a-Amino-e-caprolactam;(3R)-3-Aminoazepan-2-one;(R)-a-Amino-e-caprolactam;D-(+)-a-Amino-e-caprolactam;D-3-Aminohexahydro-2H-azepin-2-one;D-a-Amino-e-caprolactam;
PSA 55.12000
LogP 0.64290

(R)-3-Amino-2-azepanone Specification

The 2H-Azepin-2-one,3-aminohexahydro-, (3R)-, with the CAS registry number 28957-33-7, is also known as (R)-alpha-Amino-omega-caprolactam. This chemical's molecular formula is C₆H₁₂N₂O and molecular weight is 128.17228. Its IUPAC name is called (3R)-3-aminoazepan-2-one.

Physical properties of 2H-Azepin-2-one,3-aminohexahydro-, (3R)-: (1)ACD/LogP: -1.64; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.36; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.47; (10)Molar Refractivity: 34.7 cm³; (11)Molar Volume: 124.2 cm³; (12)Surface Tension: 34.7 dyne/cm; (13)Density: 1.031 g/cm³; (14)Flash Point: 144.4 °C; (15)Enthalpy of Vaporization: 55.63 kJ/mol; (16)Boiling Point: 315.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000446 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCNC(=O)C(C1)N
(2)Isomeric SMILES: C1CCNC(=O)[C@@H](C1)N
(3)InChI: InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
(4)InChIKey: BOWUOGIPSRVRSJ-RXMQYKEDSA-N

Product Name

D-alpha-Amino-epsilon-caprolactam

(R)-3-Amino-2-azepanone Specification

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