Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Hexahydro-1H-azepine-2-carboxylic acid |
EINECS | N/A |
CAS No. | 5227-53-2 | Density | 1.08 g/cm3 |
PSA | 49.33000 | LogP | 0.93200 |
Solubility | N/A | Melting Point |
208-209℃ |
Formula | C7H13NO2 | Boiling Point | 280.9 °C at 760 mmHg |
Molecular Weight | 143.186 | Flash Point | 123.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Azepine-2-carboxylicacid, hexahydro- (7CI);Hexahydro-1H-azepine-2-carboxylic acid;Hexahydroazepine-2-carboxylic acid;NSC 86359;Azocane-2-carboxylic acid; |
Article Data | 7 |
The CAS register number of 1H-Azepine-2-carboxylicacid, hexahydro- is 5227-53-2. It also can be called as Hexahydroazepine-2-carboxylic acid and the systematic name about this chemical is azepane-2-carboxylic acid. The molecular formula about this chemical is C7H13NO2 and the molecular weight is 143.1836.
Physical properties about 1H-Azepine-2-carboxylicacid, hexahydro- are: (1)ACD/LogP: 0.56; (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; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 37.12 cm3; (12)Molar Volume: 132.4 cm3; (13)Polarizability: 14.71x10-24cm3; (14)Surface Tension: 38.1 dyne/cm; (15)Density: 1.08 g/cm3; (16)Flash Point: 123.7 °C; (17)Enthalpy of Vaporization: 57.19 kJ/mol; (18)Boiling Point: 280.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000973 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1NCCCCC1
(2)InChI: InChI=1/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)
(3)InChIKey: OPFURXRZISKMJV-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)
(5)Std. InChIKey: OPFURXRZISKMJV-UHFFFAOYSA-N