CAS No.53978-73-7,Z-N-Methyl-D-valine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53978-73-7
Name:	Z-N-Methyl-D-valine

Formula:	C₁₄H₁₉NO₄
Molecular Weight:	265.31
Synonyms:	N-[(benzyloxy)carbonyl]-N-methyl-D-valine;
Density:	1.166 g/cm³
Boiling Point:	407.1 °C at 760 mmHg
Flash Point:	200 °C
PSA:	66.84000
LogP:	2.36420

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Specification

The D-Valine, N-methyl-N-[(phenylmethoxy)carbonyl]- has the CAS registry number 53978-73-7. This chemical's molecular formula is C₁₄H₁₉NO₄ and molecular weight is 265.31. What's more, its systematic name is N-[(benzyloxy)carbonyl]-N-methyl-D-valine.

Physical properties of D-Valine, N-methyl-N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 70.57 cm³; (15)Molar Volume: 227.4 cm³; (16)Polarizability: 27.97×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 200 °C; (20)Enthalpy of Vaporization: 69.48 kJ/mol; (21)Boiling Point: 407.1 °C at 760 mmHg; (22)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=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-/m1/s1
(3)InChIKey: NNEHOKZDWLJKHP-GFCCVEGCSA-N