L-Alanine,N-methyl-N-[(phenylmethoxy)carbonyl]- supplier

Name
Z-MEALA-OH
EINECS 1533716-785-6
CAS No. 21691-41-8
Article Data9
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point 54-56ºC
Formula C₁₂H₁₅NO₄
Boiling Point 423 °C at 760 mmHg
Molecular Weight 237.255
Flash Point 209.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine, 2-methyl-N-[(phenylmethoxy)carbonyl]-;
PSA 66.84000
LogP 1.72810

L-Alanine,N-methyl-N-[(phenylmethoxy)carbonyl]- Specification

The L-Alanine,N-methyl-N-[(phenylmethoxy)carbonyl]-, with the CAS registry number of 21691-41-8, is also known as Alanine, 2-methyl-N-[(phenylmethoxy)carbonyl]-. This chemical's molecular formula is C₁₂H₁₅NO₄ and molecular weight is 237.25. What's more, its IUPAC name is 2-[Methyl(phenylmethoxycarbonyl)amino]propanoic acid.

Physical properties about the L-Alanine,N-methyl-N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.63; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 61.23 cm³; (14)Molar Volume: 195.2 cm³; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.215 g/cm³; (17)Flash Point: 209.6 °C; (18)Enthalpy of Vaporization: 71.4 kJ/mol; (19)Boiling Point: 423 °C at 760 mmHg; (20)Vapour Pressure: 6.56E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(NC(=O)OCc1ccccc1)(C)C
(2) InChI: InChI=1/C12H15NO4/c1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,16)(H,14,15)
(3) InChIKey: QKVCSJBBYNYZNM-UHFFFAOYAK

Product Name

Z-MEALA-OH

L-Alanine,N-methyl-N-[(phenylmethoxy)carbonyl]- Specification

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