Boc-N-Methyl-L-phenylglycine supplier

Name
Boc-N-Methyl-L-phenylglycine
EINECS
CAS No. 30925-11-2
Article Data6
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point 118.9-124.4°C
Formula C₁₄H₁₉NO₄
Boiling Point 384.6 °C at 760 mmHg
Molecular Weight 265.309
Flash Point 186.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneaceticacid, a-[[(1,1-dimethylethoxy)carbonyl]methylamino]-,(S)-;N-(tert-Butoxycarbonyl)-N-methyl-L-phenylglycine;(2S)-[(tert-butoxycarbonyl)(methyl)amino](phenyl)ethanoic acid;
PSA 66.84000
LogP 2.67920

Boc-N-Methyl-L-phenylglycine Specification

The Boc-N-Methyl-L-phenylglycine, with the CAS registry number 30925-11-2, has the systematic name of (2S)-[(tert-butoxycarbonyl)(methyl)amino](phenyl)ethanoic acid. It belongs to the product categories: Protected Amino Acid & Peptides; N-Methyl Amino Acids; Boc-Amino acid series. And the molecular formula of the chemical is C₁₄H₁₉NO₄.

The characteristics of Boc-N-Methyl-L-phenylglycine are as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 70.62 cm³; (15)Molar Volume: 227.4 cm³; (16)Polarizability: 27.99×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 186.4 °C; (20)Enthalpy of Vaporization: 66.8 kJ/mol; (21)Boiling Point: 384.6 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)[C@H](C(=O)O)c1ccccc1
(2)InChI: O=C(OC(C)(C)C)N(C)[C@H](C(=O)O)c1ccccc1
(3)InChIKey: COABPHLHHQAKPL-NSHDSACABV

Product Name

Boc-N-Methyl-L-phenylglycine

Boc-N-Methyl-L-phenylglycine Specification

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