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| CAS No.: | 7013-07-2 |
|---|---|
| Name: | (R)-(-)-AMINO-3-HYDROXYBUTANOIC ACID |
| Molecular Structure: | |
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| Formula: | C4H9NO3 |
| Molecular Weight: | 119.12 |
| Synonyms: | Butanoicacid, 4-amino-3-hydroxy-, (R)-;(-)-b-Hydroxy-GABA;(-)-g-Amino-b-hydroxybutyric acid;(3R)-(-)-4-Amino-3-hydroxybutanoic acid;(R)-(-)-3-Hydroxy-GABA;(R)-(-)-b-Hydroxy-GABA;(R)-4-Amino-3-hydroxybutanoic acid;(R)-4-Amino-3-hydroxybutyric acid;(R)-GABOB;L-g-Amino-b-hydroxybutyric acid;R-(-)-g-Amino-b-hydroxybutyricacid; |
| Density: | 1.312 g/cm3 |
| Boiling Point: | 374.5 °C at 760 mmHg |
| Flash Point: | 180.3 °C |
| PSA: | 83.55000 |
| LogP: | -0.51900 |
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Specification
The (R)-(-)-4-Amino-3-hydroxybutanoic acid with the cas number 7013-07-2 is also called Butanoic acid,4-amino-3-hydroxy-, (3R)-. The systematic name is (3R)-4-amino-3-hydroxybutanoic acid. Its molecular formula is C4H9NO3. The product category is chiral.
The properties of the chemical are: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.23; (4)ACD/LogD (pH 7.4): -4.23; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 27.17 cm3; (15)Molar Volume: 90.7 cm3; (16)Polarizability: 10.77×10-24cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Vapour Pressure: 3.84×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](O)CN
(2)InChI: InChI=1/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
(3)InChIKey: YQGDEPYYFWUPGO-GSVOUGTGBE