Basic Information | Post buying leads | Suppliers |
Name |
(S)-3-Amino-1-methyl-azepan-2-one |
EINECS | N/A |
CAS No. | 209983-96-0 | Density | 1.02 g/cm3 |
PSA | 46.33000 | LogP | 0.59420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H14N2O | Boiling Point | 273.6 °C at 760 mmHg |
Molecular Weight | 142.2 | Flash Point | 119.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)-;(S)-3-AMino-1-Methyl-azepan-2-one HCl;(3S)-3-Aminohexahydro-1-methyl-2H-azepin-2-one;3S)-3-Amino-1-methylazepan-2-one |
The systematic name of this chemical is (3S)-3-amino-1-methyl-azepan-2-one. With the CAS registry number 209983-96-0, it is also named as 2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)-. When use it, people should be careful.
The other characteristics of this product can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 46.33 Å2; (6)Index of Refraction: 1.48; (7)Molar Refractivity: 39.62 cm3; (8)Molar Volume: 139.3 cm3; (9)Polarizability: 15.7×10-24 cm3; (10)Surface Tension: 35.4 dyne/cm; (11)Density: 1.02 g/cm3; (12)Flash Point: 119.3 °C; (13)Enthalpy of Vaporization: 51.2 kJ/mol; (14)Boiling Point: 273.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00566 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:N[C@H]1CCCCN(C)C1=O
2. InChI:InChI=1/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
3. InChIKey:GSUTYTQBQFQORF-LURJTMIEBO
4. Std. InChI:InChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
5. Std. InChIKey:GSUTYTQBQFQORF-LURJTMIESA-N