| CAS Number | 18655-49-7 |
| Catalog Number | AG00APA5(AGN-PC-03MRBC) |
| Chemical Name | 3-(3-chlorophenyl)propan-1-amine |
| IUPAC Name | 3-(3-chlorophenyl)propan-1-amine |
| InChI | InChI=1S/C9H12ClN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6,11H2 |
| InChI Key | DWCPCBZNAUDRIX-UHFFFAOYSA-N |
| MDL Number | MFCD07374079 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | ClC=1C=C(C=CC1)CCCN |
| Synonyms | 18655-49-7,
3-(3-CHLOROPHENYL)PROPAN-1-AMINE,
3-(3-Chloro-phenyl)-propylamine,
3-CHLORO-BENZENEPROPANAMINE,
CHEMBL335754,
[3-(3-chlorophenyl)propyl]amine,
3-(3-Chlorophenyl)-1-propylamine,
3-(3-chlorophenyl)propylamine,
SCHEMBL2026417,
CTK8H3823,
DTXSID60623815,
DWCPCBZNAUDRIX-UHFFFAOYSA-N,
BDBM50053593,
MFCD07374079,
ZINC11596878,
AKOS005265329,
AB38690,
MCULE-1857560991,
NE13653,
BS-12129,
F9995-2043,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number