sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys methyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate

methyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate

CAS No.:
103742-39-8
Catalog Number:
AG00J0LG
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00J0LG
Chemical Name:
methyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate
CAS Number:
103742-39-8
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
MDL Number:
MFCD00100211
IUPAC Name:
methyl 5-amino-1-benzyltriazole-4-carboxylate
InChI:
InChI=1S/C11H12N4O2/c1-17-11(16)9-10(12)15(14-13-9)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChI Key:
MJWNUBRBZBLGOM-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnn(c1N)Cc1ccccc1
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties