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Name |
Pentanoic acid,2-amino-4,4-dimethyl-, (2S)- |
EINECS | N/A |
CAS No. | 57224-50-7 | Density | 1.016 g/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 |
L-Leucine,4-methyl- (9CI);4-Methyl-L-leucine;L-2-Amino-4,4-dimethylpentanoic acid;L-g-Methylleucine;(S)-2-Amino-4,4-dimethylpentanoic acid; |
Article Data | 3 |
The Pentanoic acid,2-amino-4,4-dimethyl-, (2S)-, with the CAS registry number 57224-50-7, is also known as (S)-2-Amino-4,4-dimethylpentanoic acid. This chemical's molecular formula is C7H15NO2 and molecular weight is 145.2. What's more, its systematic name is 4-Methyl-L-leucine. The product should be sealed and stored in containers which are placed in cool and dry places and it should be ensured that the workshop is well ventilated or equipped with exhaust device.
Physical properties of Pentanoic acid,2-amino-4,4-dimethyl-, (2S)- are: (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: 29.54 Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 39.5 cm3; (13)Molar Volume: 142.8 cm3; (14)Polarizability: 15.66×10-24 cm3; (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](N)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-/m0/s1
(3)InChIKey: LPBSHGLDBQBSPI-YFKPBYRVSA-N