| CAS Number | 142335-67-9 |
| Catalog Number | AG01A7PR(AGN-PC-016A9X) |
| Chemical Name | 4-(1H-1,3-benzodiazol-1-ylmethyl)aniline |
| IUPAC Name | 4-(benzimidazol-1-ylmethyl)aniline |
| InChI | InChI=1S/C14H13N3/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9,15H2 |
| InChI Key | NONUWTMEUPNZCI-UHFFFAOYSA-N |
| MDL Number | MFCD09742949 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)N |
| Synonyms | 4-(1H-1,3-benzodiazol-1-ylmethyl)aniline,
142335-67-9,
4-[(1H-Benzimidazol-1-yl)methyl]aniline,
AC1Q520R,
SCHEMBL2022520,
CTK7D7463,
ZINC19262201,
AKOS000150387,
MCULE-8641298487,
NE55313,
EN300-59458,
4-[(1H-1,3-benzodiazol-1-yl)methyl]aniline,
4-(1H-1,3-Benzodiazol-1-ylmethyl)aniline, AldrichCPR,
Z1262246185,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.279g/mol |
| Monoisotopic Mass | 223.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number