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

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Name

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

EINECS N/A
CAS No. 651035-84-6 Density 1.161 g/cm3
PSA 64.63000 LogP 1.68240
Solubility N/A 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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 651035-84-6 (Methyl N-Boc-3-chloro-L-alaninate) Hazard Symbols N/A
Synonyms

L-Alanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;(R)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester;

Article Data 5

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

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