Home Other Building Blocks L-Histidine, 1-(phenylmethyl)-, methyl ester, monohydrochloride (9CI)

L-Histidine, 1-(phenylmethyl)-, methyl ester, monohydrochloride (9CI)

CAS No.:
274927-61-6
Catalog Number:
AG002TXB
Molecular Formula:
C14H18ClN3O2
Molecular Weight:
295.7646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002TXB
Chemical Name:
L-Histidine, 1-(phenylmethyl)-, methyl ester, monohydrochloride (9CI)
CAS Number:
274927-61-6
Molecular Formula:
C14H18ClN3O2
Molecular Weight:
295.7646
MDL Number:
MFCD09752047
IUPAC Name:
methyl (2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoate;hydrochloride
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
InChI Key:
PDWWNBDQGDYHPH-ZOWNYOTGSA-N
SMILES:
COC(=O)[C@H](Cc1ncn(c1)Cc1ccccc1)N.Cl
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
295.109g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.767g/mol
Monoisotopic Mass:
295.109g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties