| CAS Number | 1169977-30-3 |
| Catalog Number | AG019M1L |
| Chemical Name | N1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethane-1,2-diamine dihydrochloride |
| IUPAC Name | N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C9H12N6.2ClH/c10-6-7-11-9-12-13-14-15(9)8-4-2-1-3-5-8;;/h1-5H,6-7,10H2,(H,11,12,14);2*1H |
| InChI Key | YKUIQBPKJQSBPG-UHFFFAOYSA-N |
| MDL Number | MFCD10686693 |
| Molecular Formula | C9H14Cl2N6 |
| Molecular Weight | 277.1537 |
| SMILES | Cl.Cl.NCCNC1N(C2=CC=CC=C2)N=NN=1 |
| Synonyms | N-(1-phenyl-1H-tetrazol-5-yl)ethane-1,2-diamine dihydrochloride,
1169977-30-3,
N-(2-aminoethyl)-1-phenyl-1H-1,2,3,4-tetrazol-5-amine dihydrochloride,
N1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethane-1,2-diamine dihydrochloride,
AC1Q3AVQ,
CTK7E9056,
MCULE-3067022191,
NE46173,
EN300-33757,
Z367452160,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.153g/mol |
| Monoisotopic Mass | 276.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number