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CAS No.: | 42417-65-2 |
---|---|
Name: | Cbz-N-methyl-L-valine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H19NO4 |
Molecular Weight: | 265.309 |
Synonyms: | (S)-N-(Benzyloxycarbonyl)-N-methylvaline;N-(Benzyloxycarbonyl)-N-methylvaline;Cbz-N-Me-Val-OH; |
Density: | 1.167 g/cm3 |
Melting Point: | 68-70 °C(lit.) |
Boiling Point: | 407.1 °C at 760 mmHg |
Flash Point: | 200 °C |
Safety: | 36/37 |
PSA: | 66.84000 |
LogP: | 2.36420 |
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The CAS register number of Cbz-N-methyl-L-valine is 42417-65-2. It also can be called as L-Valine,N-methyl-N-[(phenylmethoxy)carbonyl]- and the systematic name about this chemical is N-[(benzyloxy)carbonyl]-N-methyl-L-valine. The molecular formula about this chemical is C14H19NO4 and the molecular weight is 265.30. It belongs to the Amino Acid Derivatives. When you are using it, please wear suitable protective clothing and gloves.
Physical properties about Cbz-N-methyl-L-valine are: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): -0.39; (4)ACD/BCF (pH 5.5): 1.61; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 70.57 cm3; (14)Molar Volume: 227.4 cm3; (15)Polarizability: 27.97x10-24cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Flash Point: 200 °C; (18)Enthalpy of Vaporization: 69.48 kJ/mol; (19)Boiling Point: 407.1 °C at 760 mmHg; (20)Vapour Pressure: 2.34E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N(C(=O)OCc1ccccc1)C)C(C)C
(2)InChI: InChI=1/C14H19NO4/c1-10(2)12(13(16)17)15(3)14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1
(3)InChIKey: NNEHOKZDWLJKHP-LBPRGKRZBL
(4)Std. InChI: InChI=1S/C14H19NO4/c1-10(2)12(13(16)17)15(3)14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1
(5)Std. InChIKey: NNEHOKZDWLJKHP-LBPRGKRZSA-N