Molecular Structure of (S)-3-Amino-2-azepanone (CAS NO.21568-87-6):
Systematic Name: (3R)-3-Aminoazepan-2-one
Molecular Formula: C6H12N2O
Molecular Weight: 128.17
CAS Registry Number: 21568-87-6
storage temp.: −20 °C
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 1
Index of Refraction: 1.47
Molar Refractivity: 34.7 cm3
Molar Volume: 124.2 cm3
Surface Tension: 34.7 dyne/cm
Density: 1.031 g/cm3
Flash Point: 144.4 °C
Enthalpy of Vaporization: 55.63 kJ/mol
Boiling Point: 315.1 °C at 760 mmHg
Vapour Pressure: 0.000446 mmHg at 25 °C
SMILES: O=C1NCCCC[C@H]1N
InChI: InChI=1/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
InChIKey: BOWUOGIPSRVRSJ-RXMQYKEDBD
Safety Information of (S)-3-Amino-2-azepanone (CAS NO.21568-87-6):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
(S)-3-Amino-2-azepanone (CAS NO.21568-87-6), its Synonyms are 2H-Azepin-2-one,3-aminohexahydro-, (3S)- ; 2H-Azepin-2-one,3-aminohexahydro-, (S)- ; 2H-Azepin-2-one, 3-aminohexahydro-, L- (8CI) ; (-)-a-Amino-e-caprolactam ; (-)-a-Aminocaprolactam ; (3S)-3-Aminohexahydro-2H-azepin-2-one ; (3S)-Amino-e-caprolactam ; (S)-(-)-a-Amino-e-caprolactam ; (S)-3-Amino-2-caprolactam ; (S)-3-Aminoazepan-2-one ; (S)-Caprolactam-3-amine; (S)-alpha-Amino-e-caprolactam .
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