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Name |
3-tertbutyl-D-β-alanine |
EINECS | N/A |
CAS No. | 88319-43-1 | Density | 1.016g/cm3 |
PSA | 63.32000 | LogP | 1.53480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H15NO2 | Boiling Point | 236 °C at 760 mmHg |
Molecular Weight | 145.202 | Flash Point | 96.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
D-Leucine,4-methyl- (9CI);(R)-2-Amino-4,4-dimethylpentanoic acid;4-Methyl-D-leucine;D-Neopentylglycine;D-tert-Butylalanine;g-Methyl-D-leucine; |
Article Data | 1 |
The 3-tertbutyl-D-β-alanine, with CAS registry number 88319-43-1, has the systematic name of (2R)-2-ammonio-4,4-dimethylpentanoate. Besides this, it is also called Beta-t-butyl-d-alanine. This chemical should be stored at the temperature of 0-5°C. And the chemical formula of this chemical is C7H15NO2.
Physical properties of 3-tertbutyl-D-β-alanine: (1)ACD/LogP: 1.08; (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: 37.3 Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 39.5 cm3; (13)Molar Volume: 142.8 cm3; (14)Polarizability: 15.66×10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.016 g/cm3; (17)Flash Point: 96.5 °C; (18)Enthalpy of Vaporization: 52.08 kJ/mol; (19)Boiling Point: 236 °C at 760 mmHg; (20)Vapour Pressure: 0.0167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H]([NH3+])CC(C)(C)C
(2)InChI: InChI=1/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
(3)InChIKey: LPBSHGLDBQBSPI-RXMQYKEDBI
(4)Std. InChI: InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
(5)Std. InChIKey: LPBSHGLDBQBSPI-RXMQYKEDSA-N