Home Aminos 2-amino-3-(1-phenyl-1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride

2-amino-3-(1-phenyl-1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride

CAS No.:
1443979-40-5
Catalog Number:
AG01A5A6
Molecular Formula:
C11H13ClN4O2
Molecular Weight:
268.6995
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Product Description
Catalog Number:
AG01A5A6
Chemical Name:
2-amino-3-(1-phenyl-1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride
CAS Number:
1443979-40-5
Molecular Formula:
C11H13ClN4O2
Molecular Weight:
268.6995
MDL Number:
MFCD24842847
IUPAC Name:
2-amino-3-(1-phenyltriazol-4-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C11H12N4O2.ClH/c12-10(11(16)17)6-8-7-15(14-13-8)9-4-2-1-3-5-9;/h1-5,7,10H,6,12H2,(H,16,17);1H
InChI Key:
NPEUQANRJDUWNP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1nnn(c1)c1ccccc1)N.Cl
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.073g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
268.701g/mol
Monoisotopic Mass:
268.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties