Methyl N-Boc-3-chloro-L-alaninate supplier

Name
Methyl N-Boc-3-chloro-L-alaninate
EINECS
CAS No. 651035-84-6
Article Data5
CAS DataBase
Density 1.161 g/cm³
Solubility
Melting Point 62-64 °C
Formula C₉H₁₆ClNO₄
Boiling Point 321.2 °C at 760 mmHg
Molecular Weight 237.683
Flash Point 148.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Alanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;(R)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester;
PSA 64.63000
LogP 1.68240

Methyl N-Boc-3-chloro-L-alaninate Specification

The Methyl N-Boc-3-chloro-L-alaninate, with the CAS registry number 651035-84-6, is also known as (R)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester. It belongs to the product category of Small molecule. This chemical's molecular formula is C₉H₁₆ClNO₄ and molecular weight is 237.68. What's more, its systematic name is methyl (2R)-2-(tert-butoxycarbonylamino)-3-chloro-propanoate.

Physical properties of Methyl N-Boc-3-chloro-L-alaninate are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 64.63 Å²; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 55.66 cm³; (11)Molar Volume: 204.6 cm³; (12)Polarizability: 22.06×10^-24cm³; (13)Surface Tension: 35.1 dyne/cm; (14)Density: 1.161 g/cm³; (15)Flash Point: 148.1 °C; (16)Enthalpy of Vaporization: 56.29 kJ/mol; (17)Boiling Point: 321.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000302 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)OC
(2)InChI: InChI=1S/C9H16ClNO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1
(3)InChIKey: VAUXVOGTPPDPQC-LURJTMIESA-N

Product Name

Methyl N-Boc-3-chloro-L-alaninate

Methyl N-Boc-3-chloro-L-alaninate Specification

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