| CAS Number | 400721-75-7 |
| Catalog Number | AG01A1B8(AGN-PC-0EYJHQ) |
| Chemical Name | 4-(Aminomethyl)-3-chloroaniline |
| IUPAC Name | 4-(aminomethyl)-3-chloroaniline |
| InChI | InChI=1S/C7H9ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2 |
| InChI Key | UGSXRYXRWBKDFP-UHFFFAOYSA-N |
| MDL Number | MFCD06213248 |
| Molecular Formula | C7H9ClN2 |
| Molecular Weight | 156.6128 |
| SMILES | NCC1=C(C=C(N)C=C1)Cl |
| Synonyms | 4-(aminomethyl)-3-chloroaniline,
400721-75-7,
4-Amino-2-chlorobenzylamine,
SCHEMBL14085077,
ZINC44249394,
AKOS012243964,
NE47517,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.613g/mol |
| Monoisotopic Mass | 156.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number