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| CAS No.: | 204191-43-5 |
|---|---|
| Name: | DL-3-T-BUTYL-BETA-ALANINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H15NO2 |
| Molecular Weight: | 145.20 |
| Synonyms: | 3-Amino-4,4-dimethylpentanoic acid;DL-3-t-butyl-β-alanine; |
| Density: | 1.017 g/cm3 |
| Boiling Point: | 241.6 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| PSA: | 63.32000 |
| LogP: | 1.53480 |
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- Total:25 Page 1 of 1 1
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Specification
The CAS register number of Pentanoicacid, 3-amino-4,4-dimethyl- is 204191-43-5. It also can be called as DL-3-t-butyl-β-alanine and the IUPAC name about this chemical is 3-amino-4,4-dimethylpentanoic acid. The molecular formula about this chemical is C7H15NO2 and the molecular weight is 145.1995.
Physical properties about Pentanoicacid, 3-amino-4,4-dimethyl- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): -1.79; (3)ACD/LogD (pH 7.4): -1.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 39.5 cm3; (14)Molar Volume: 142.8 cm3; (15)Polarizability: 15.66x10-24cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Flash Point: 99.9 °C; (18)Enthalpy of Vaporization: 52.71 kJ/mol; (19)Boiling Point: 241.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)C(C)(C)C
(2)InChI: InChI=1/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
(3)InChIKey: MIMSUZKTGRXZNZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
(5)Std. InChIKey: MIMSUZKTGRXZNZ-UHFFFAOYSA-N