| CAS Number | 949444-82-0 |
| Catalog Number | AG019KXM |
| Chemical Name | 4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline |
| IUPAC Name | 4-(1-cyclopropyltetrazol-5-yl)aniline |
| InChI | InChI=1S/C10H11N5/c11-8-3-1-7(2-4-8)10-12-13-14-15(10)9-5-6-9/h1-4,9H,5-6,11H2 |
| InChI Key | CBCHVBDISUGGOQ-UHFFFAOYSA-N |
| MDL Number | MFCD09802097 |
| Molecular Formula | C10H11N5 |
| Molecular Weight | 201.2278 |
| SMILES | NC1=CC=C(C2N(C3CC3)N=NN=2)C=C1 |
| Synonyms | 4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline,
4-(1-cyclopropyl-1H-tetrazol-5-yl)aniline,
949444-82-0,
AC1Q51VE,
CTK7D7344,
ZINC12505864,
AKOS009145683,
MCULE-9873318603,
NE46260,
EN300-28905,
Z235362547,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.233g/mol |
| Monoisotopic Mass | 201.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number