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Name |
(3S,5R)-3-Amino-5-methyloctanoic acid |
EINECS | N/A |
CAS No. | 610300-07-7 | Density | 0.983g/cm3 |
PSA | 63.32000 | LogP | 2.31500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H19NO2 | Boiling Point | 282.945 °C at 760 mmHg |
Molecular Weight | 173.255 | Flash Point | 124.921 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5R)-3-Amino-5-methyl-octanoic acid;PD-332,334;IMAGABALIN; |
Article Data | 4 |
The (3S,5R)-3-Amino-5-methyloctanoic acid with cas registry number of 610300-07-7, has the systematic name of (3S,5R)-3-amino-5-methyloctanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 48.762 cm3; (15)Molar Volume: 176.153 cm3; (16)Polarizability: 19.331×10-24cm3; (17)Surface Tension: 37.466 dyne/cm; (18)Enthalpy of Vaporization: 57.422 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](N)C[C@@H](CCC)C;
(2)InChI: InChI=1/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1;
(3)InChIKey: JXEHXYFSIOYTAH-SFYZADRCBZ;
(4)Std. InChI: InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1;
(5)Std. InChIKey: JXEHXYFSIOYTAH-SFYZADRCSA-N