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274927-61-6

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Basic Information
CAS No.: 274927-61-6
Name: 1-Phenylmethyl-L-histidine methyl ester monohydrochloride
Molecular Structure:
Molecular Structure of 274927-61-6 (1-Phenylmethyl-L-histidine methyl ester monohydrochloride)
Formula: C14H17 N3 O2 . Cl H
Molecular Weight: 295.77
Synonyms: L-Histidine,1-(phenylmethyl)-,methylester,monohydrochloride;1-PHENYLMETHYL-L-HISTIDINE METHYL ESTER MONOHYDROCHLORIDE
Boiling Point: 436.9oC at 760 mmHg
Flash Point: 218oC
PSA: 70.14000
LogP: 2.47650
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Chemistry

Molecular structure of 1-Phenylmethyl-L-histidine methyl ester monohydrochloride (CAS NO.274927-61-6) is:

Product Name: 1-Phenylmethyl-L-histidine methyl ester monohydrochloride
CAS Registry Number: 274927-61-6
Systematic Name: (2S)-3-(1-benzyl-1H-imidazol-4-yl)-1-methoxy-1-oxopropan-2-aminium chloride
Molecular Formula: C14H17N3O2.HCl
Molecular Weight: 295.77 
Flash Point: 218 °C
Enthalpy of Vaporization: 69.34 kJ/mol
Boiling Point: 436.9 °C at 760 mmHg
Vapour Pressure: 7.81E-08 mmHg at 25 °C
SMILES: [Cl-].O=C(OC)[C@@H]([NH3+])Cc1ncn(c1)Cc2ccccc2
InChI: InChI=1/C14H17N3O2.ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8,15H2,1H3;1H/t13-;/m0./s1
InChIKey: PDWWNBDQGDYHPH-ZOWNYOTGBE
Std. InChI: InChI=1S/C14H17N3O2.ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8,15H2,1H3;1H/t13-;/m0./s1
Std. InChIKey: PDWWNBDQGDYHPH-ZOWNYOTGSA-N

Specification

 1-Phenylmethyl-L-histidine methyl ester monohydrochloride , its cas register number is 274927-61-6. It also can be called L-Histidine,1-(phenylmethyl)-,methylester,monohydrochloride .