| CAS Number | 1170384-79-8 |
| Catalog Number | AG019NCX |
| Chemical Name | 1-[4-(1-Aminoethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide hydrochloride |
| IUPAC Name | 1-[4-(1-aminoethyl)phenyl]triazole-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C11H13N5O.ClH/c1-7(12)8-2-4-9(5-3-8)16-6-10(11(13)17)14-15-16;/h2-7H,12H2,1H3,(H2,13,17);1H |
| InChI Key | IFOULNKFPQRJAS-UHFFFAOYSA-N |
| MDL Number | MFCD11505552 |
| Molecular Formula | C11H14ClN5O |
| Molecular Weight | 267.7148 |
| SMILES | Cl.CC(C1=CC=C(N2N=NC(C(N)=O)=C2)C=C1)N |
| Synonyms | 1-[4-(1-aminoethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide hydrochloride,
1170384-79-8,
EN300-40034,
AC1Q397T,
CTK6A5121,
AKOS034314812,
MCULE-7750826837,
NE60616,
Z425449696,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.717g/mol |
| Monoisotopic Mass | 267.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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