2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (3S)- supplier

Name
(S)-3-AMINO-1-ETHYLAZEPAN-2-ONE
EINECS
CAS No. 206434-45-9
Density 0.995 g/cm³
Solubility
Melting Point
Formula C₈H₁₆N₂O
Boiling Point 288.3 °C at 760 mmHg
Molecular Weight 156.23
Flash Point 128.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (S)-;(3S)-3-Amino-1-ethylhexahydro-2H-azepin-2-one;
PSA 46.33000
LogP 0.98430

2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (3S)- Specification

The CAS register number of 2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (3S)- is 206434-45-9. It also can be called as (S)-3-amino-1-ethylazepan-2-one and the systematic name about this chemical is (3S)-3-amino-1-ethylazepan-2-one. The molecular formula about this chemical is C₈H₁₆N₂O and the molecular weight is 156.23. It belongs to the Chiral.

Physical properties about 2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (3S)- are: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -2.53; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 23.55Å²; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 44.24 cm³; (14)Molar Volume: 156.8 cm³; (15)Polarizability: 17.54x10^-24cm³; (16)Surface Tension: 34.4 dyne/cm; (17)Enthalpy of Vaporization: 52.76 kJ/mol; (18)Boiling Point: 288.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00235 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CC)CCCC[C@@H]1N
(2)InChI: InChI=1/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
(3)InChIKey: KBJPENFOWBANKE-ZETCQYMHBM
(4)Std. InChI: InChI=1S/C8H16N2O/c1-2-10-6-4-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3/t7-/m0/s1
(5)Std. InChIKey: KBJPENFOWBANKE-ZETCQYMHSA-N

Product Name

(S)-3-AMINO-1-ETHYLAZEPAN-2-ONE

2H-Azepin-2-one,3-amino-1-ethylhexahydro-, (3S)- Specification

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