| CAS Number | 31603-03-9 |
| Catalog Number | AG01AH6W(AGN-PC-0WO2A6) |
| Chemical Name | 1-(1H-1,2,3,4-Tetrazol-5-yl)propan-1-amine |
| IUPAC Name | 1-(2H-tetrazol-5-yl)propan-1-amine |
| InChI | InChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9) |
| InChI Key | DOFDXNNXHHZWCT-UHFFFAOYSA-N |
| MDL Number | MFCD03931083 |
| Molecular Formula | C4H9N5 |
| Molecular Weight | 127.1478 |
| SMILES | N1N=NN=C1C(CC)N |
| Synonyms | 1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine,
1-(2H-tetrazol-5-yl)propan-1-amine,
31603-03-9,
5-.alpha.-Aminopropyltetrazole,
AC1LBYQV,
SCHEMBL9388195,
CTK6C8582,
DOFDXNNXHHZWCT-UHFFFAOYSA-N,
AKOS010393372,
AKOS022529571,
MCULE-3070985013,
NE49076,
1-(1H-Tetraazol-5-yl)-1-propanamine #,
EN300-73861,
Z1266933812,
CID566608,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.151g/mol |
| Monoisotopic Mass | 127.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number