| CAS Number | 42365-43-5 |
| Catalog Number | AG00CM2V(AGN-PC-0WNWRI) |
| Chemical Name | 4-Chlorobenzylamine hydrochloride |
| EC Number | 610-019-1 |
| IUPAC Name | (4-chlorophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C7H8ClN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H |
| InChI Key | KZNAUVKZACBZPF-UHFFFAOYSA-N |
| MDL Number | MFCD00672960 |
| Molecular Formula | C7H9Cl2N |
| Molecular Weight | 178.0591 |
| SMILES | NCC1=CC=C(Cl)C=C1.[H]Cl |
| Synonyms | 4-CHLOROBENZYLAMINE HYDROCHLORIDE,
42365-43-5,
(4-chlorophenyl)methanamine hydrochloride,
p-Chlorobenzylamine, hydrochloride,
AC1L9YEX,
SCHEMBL927415,
CTK1D3256,
DTXSID60332516,
KZNAUVKZACBZPF-UHFFFAOYSA-N,
AKOS023552987,
AS02689,
ACM42365435,
Benzenemethanamine, 4-chloro-, hydrochloride,
(4-Chlorophenyl)methanamine,
CID458443,
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| Complexity | 77 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.056g/mol |
| Monoisotopic Mass | 177.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number