(3S,5R)-3-Amino-5-methyloctanoic acid supplier

Name
(3S,5R)-3-Amino-5-methyloctanoic acid
EINECS
CAS No. 610300-07-7
Article Data4
CAS DataBase
Density 0.983g/cm³
Solubility
Melting Point
Formula C₉H₁₉NO₂
Boiling Point 282.945 °C at 760 mmHg
Molecular Weight 173.255
Flash Point 124.921 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5R)-3-Amino-5-methyl-octanoic acid;PD-332,334;IMAGABALIN;
PSA 63.32000
LogP 2.31500

(3S,5R)-3-Amino-5-methyloctanoic acid Specification

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

Product Name

(3S,5R)-3-Amino-5-methyloctanoic acid

(3S,5R)-3-Amino-5-methyloctanoic acid Specification

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