CAS No.2462-35-3,L-Leucine benzyl ester hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2462-35-3
Name:	L-Leucine benzyl ester hydrochloride
Article Data:	5

Formula:	C₁₃H₂₀ClNO₂
Molecular Weight:	257.76
Synonyms:	L-Leucine,phenylmethyl ester, hydrochloride (9CI);Leucine benzyl ester hydrochloride(6CI);Leucine, benzyl ester, hydrochloride, L- (7CI,8CI);Benzyl L-leucinatehydrochloride;L-Leucine benzyl ester hydrochloride;
Melting Point:	129 °C(Solv: chloroform (67-66-3); cyclohexane (110-82-7))
Boiling Point:	302.5 °C at 760 mmHg
Flash Point:	157.6 °C
PSA:	52.32000
LogP:	3.60550

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Specification

The L-Leucine, phenylmethylester, hydrochloride (1:1), with the CAS registry number 2462-35-3, is also known as L-Leucine benzyl ester hydrochloride. This chemical's molecular formula is C₁₃H₂₀ClNO₂ and molecular weight is 257.7564. What's more, its systematic name is called (2S)-1-(Benzyloxy)-4-methyl-1-oxopentan-2-aminium chloride.

Physical properties about L-Leucine, phenylmethylester, hydrochloride (1:1) are: (1) ACD/LogP: 2.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.43; (4) ACD/LogD (pH 7.4): 2.13; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 17.78; (7) ACD/KOC (pH 5.5): 3.72; (8) ACD/KOC (pH 7.4): 186.5; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 26.3 Å²; (13) Flash Point: 157.6 °C; (14) Enthalpy of Vaporization: 54.27 kJ/mol; (15) Boiling Point: 302.5 °C at 760 mmHg; (16) Vapour Pressure: 0.000987 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
SMILES: [Cl-].O=C(OCc1ccccc1)[C@@H]([NH3+])CC(C)C
InChI: InChI=1/C13H19NO2.ClH/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9,14H2,1-2H3;1H/t12-;/m0./s1
(3) InChIKey: HCYLOEGSAOVRIT-YDALLXLXBB