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| CAS No.: | 5699-54-7 |
|---|---|
| Name: | 3-AMINO-4-METHYLPENTANOIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | Valericacid, 3-amino-4-methyl- (6CI,8CI);(?à)-3-Amino-4-methylpentanoic acid;3-Amino-4-methylpentanoic acid;DL-b-Leucine;b-Aminoisocaproicacid;b-Leucine; |
| Density: | 1.035 g/cm3 |
| Melting Point: | 206-209 °C |
| Boiling Point: | 232 °C at 760 mmHg |
| Flash Point: | 94.1 °C |
| Solubility: | soluble in water |
| Appearance: | white fine crystalline powder |
| Safety: | 24/25 |
| PSA: | 63.32000 |
| LogP: | 1.14470 |
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- Total:33 Page 1 of 1 1
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Specification
The Pentanoic acid,3-amino-4-methyl-, with CAS registry number 5699-54-7, has the systematic name of 3-amino-4-methylpentanoic acid. This chemical is a kind of white fine crystalline powder. When use this chemical, please avoid contact with skin and eyes. And the chemical formula of this chemical is C6H13NO2.
Physical properties of Pentanoic acid,3-amino-4-methyl-: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 34.86 cm3; (13)Molar Volume: 126.6 cm3; (14)Polarizability: 13.82×10-24cm3; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.035 g/cm3; (17)Flash Point: 94.1 °C; (18)Enthalpy of Vaporization: 51.63 kJ/mol; (19)Boiling Point: 232 °C at 760 mmHg; (20)Vapour Pressure: 0.0212 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)C(C)C
(2)InChI: InChI=1/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(3)InChIKey: GLUJNGJDHCTUJY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(5)Std. InChIKey: GLUJNGJDHCTUJY-UHFFFAOYSA-N