200,000+ products from a single source!
sales@angenechem.com
20271-33-4 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-, ethyl ester
CAS No: 20271-33-4 Catalog No: AG0028DM MDL No:MFCD02068900
Product Description
Catalog Number:
AG0028DM
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-, ethyl ester
CAS Number:
20271-33-4
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
MDL Number:
MFCD02068900
IUPAC Name:
ethyl 5-amino-1-benzyltriazole-4-carboxylate
InChI:
InChI=1S/C12H14N4O2/c1-2-18-12(17)10-11(13)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3
InChI Key:
WPALUGLYRHXNGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnn(c1N)Cc1ccccc1
NSC Number:
111590
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.