| CAS Number | 57684-30-7 |
| Catalog Number | AG00EJC0(AGN-PC-0JWM6T) |
| Chemical Name | N N-DIMETHYLBENZOTRIAZOLEMETHANAMINE |
| IUPAC Name | 1-(2H-benzotriazol-4-yl)-N,N-dimethylmethanamine |
| InChI | InChI=1S/C9H12N4/c1-13(2)6-7-4-3-5-8-9(7)11-12-10-8/h3-5H,6H2,1-2H3,(H,10,11,12) |
| InChI Key | ALDULCLMMQLMIO-UHFFFAOYSA-N |
| MDL Number | MFCD00456778 |
| Molecular Formula | C9H12N4 |
| Molecular Weight | 176.2184 |
| SMILES | N1(CN(C)C)C2C=CC=CC=2N=N1 |
| Synonyms | 57684-30-7,
SCHEMBL283985,
CTK5A7277,
DTXSID60705660,
1-(2H-benzotriazol-4-yl)-N,N-dimethylmethanamine,
N N-DIMETHYLBENZOTRIAZOLEMETHANAMINE,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.106196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.22g/mol |
| Monoisotopic Mass | 176.106196g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number