Basic information
- Name:
Butanoic acid,4-amino-2-hydroxy-
- Superlist Name:
- 2-Hydroxy-4-amino butanoic acid
- CAS No.:
13477-53-7
- Molecular Structure:
- Formula:
- C4H9NO3
- Molecular Weight:
- 119.12
- Synonyms:
- g-Amino-a-hydroxybutyric acid;Butyricacid, 4-amino-2-hydroxy- (8CI);(RS)-2-Hydroxy-GABA;(RS)-2-Hydroxy-g-aminobutyric acid;2-Hydroxy-g-aminobutyric acid;4-Amino-2-hydroxybutanoicacid;4-Amino-2-hydroxybutyric acid;DL-4-Amino-2-hydroxybutanoic acid;DL-4-Amino-2-hydroxybutyric acid;
- Density:
- 1.312 g/cm3
- Melting Point:
- 196-206 °C
- Boiling Point:
- 361.8 °C at 760 mmHg
- Flash Point:
- 172.6 °C
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Specification
The 2-Hydroxy-4-amino butanoic acid with the CAS number 13477-53-7 is also called Butanoic acid,4-amino-2-hydroxy-. Both the systematic name and IUPAC name are 4-amino-2-hydroxybutanoic acid. Its molecular formula is C4H9NO3. This chemical belongs to the following product categories: (1)Alcohols and Derivatives; (2)Amino Acids and Derivatives; (3)(intermediate of amikacin sulfate).
The properties of the 2-Hydroxy-4-amino butanoic acid are: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.6; (4)ACD/LogD (pH 7.4): -3.6; (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: 70.33 kJ/mol; (19)Vapour Pressure: 1.08×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)CCN
(2)InChI: InChI=1/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
(3)InChIKey: IVUOMFWNDGNLBJ-UHFFFAOYAP
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | unreported | 11500mg/kg (11500mg/kg) | Bitamin. Vol. 25, Pg. 297, 1962. |
