CAS No.40298-32-6,H-SAR-OBZL HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40298-32-6
Name:	H-SAR-OBZL HCL

Formula:	C₁₀H₁₄ClNO₂
Molecular Weight:	215.68
Synonyms:	Glycine, N-methyl-, phenylmethylester, hydrochloride (9CI);Sarcosine, benzyl ester,hydrochloride (6CI);Benzyl sarcosinate hydrochloride;Sarcosine benzyl ester HCl;
Boiling Point:	298.4 °C at 760 mmHg
Flash Point:	134.3 °C
PSA:	38.33000
LogP:	2.14210

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Specification

The Glycine, N-methyl-, phenylmethylester, hydrochloride (1:1), with the CAS registry number 40298-32-6, has the systematic name of benzyl N-methylglycinate hydrochloride (1:1). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₄ClNO₂.

The characteristics of Glycine, N-methyl-, phenylmethylester, hydrochloride (1:1) are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.17; (6)ACD/KOC (pH 5.5): 1.06; (7)ACD/KOC (pH 7.4): 46.77; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.33 Å²; (12)Flash Point: 134.3 °C; (13)Enthalpy of Vaporization: 54.91 kJ/mol; (14)Boiling Point: 298.4 °C at 760 mmHg; (15)Vapour Pressure: 0.000953 mmHg at 25°C.

Uses of Glycine, N-methyl-, phenylmethylester, hydrochloride (1:1): It can react with Fmoc-Nva to produce Fmoc-Nva-Sar-OBzl. This reaction will need reagent 2-bromo-1-ethyl pyridinium tetrafluoroborate and DIEA, and the menstruum CH₂Cl₂. The reaction temperature is -10~ -20°C, and the yield is about 97.6%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.CNCC(=O)OCc1ccccc1
(2)InChI: InChI=1/C10H13NO2.ClH/c1-11-7-10(12)13-8-9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H
(3)InChIKey: IKVSQXCDEBTOMO-UHFFFAOYAK