| CAS Number | 1232979-67-7 |
| Catalog Number | AG00HH84(AGN-PC-0WAYFT) |
| Chemical Name | 1-(2-aminoethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2-aminoethyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C5H8N4O2/c6-1-2-9-3-4(5(10)11)7-8-9/h3H,1-2,6H2,(H,10,11) |
| InChI Key | ASIUNYPPVATDFV-UHFFFAOYSA-N |
| MDL Number | MFCD28023526 |
| Molecular Formula | C5H8N4O2 |
| Molecular Weight | 156.1426 |
| SMILES | NCCN1N=NC(C(O)=O)=C1 |
| Synonyms | 1-(2-aminoethyl)-1H-1,2,3-triazole-4-carboxylic acid,
1232979-67-7,
SCHEMBL15776049,
HTS001616,
MFCD16666463,
ZINC50213513,
AKOS011336897,
MCULE-8086161247,
C5H8N4O2,
1-(2-aminoethyl)-1H-1,2,3-triazole-4-carboxylic acid hydrochloride,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.145g/mol |
| Monoisotopic Mass | 156.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number