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CAS No.: | 62965-57-5 |
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Name: | ButanaMide, 2-aMino-3,3-diMethyl-, (2S)- |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H14N2O |
Molecular Weight: | 130.19 |
Synonyms: | Butanamide, 2-amino-3,3-dimethyl-, (2S)-; |
EINECS: | 613-121-4 |
Density: | 0.982 g/cm3 |
Boiling Point: | 242.7 °C at 760 mmHg |
Flash Point: | 100.6 °C |
PSA: | 69.11000 |
LogP: | 1.24570 |
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3-Methyl-L-valinamide, with the CAS registry number 62965-57-5, is also named as Butanamide, 2-amino-3,3-dimethyl-, (2S)-. This chemical's molecular formula is C6H14N2O and molecular weight is 130.19. What's more, its systematic name is 3-Methyl-L-valinamide.
Physical properties of 3-Methyl-L-valinamide are: (1)ACD/LogP: -0.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 3.06; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 36.87 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 14.61×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.97 kJ/mol; (21)Boiling Point: 242.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0335 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](N)C(C)(C)C
(2)Std. InChI: InChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)/t4-/m1/s1
(3)Std. InChIKey: QCVCCWSPZIUXEA-SCSAIBSYSA-N