| CAS Number | 879663-52-2 |
| Catalog Number | AG00J305(AGN-PC-0WB69J) |
| Chemical Name | 3-(2-Chlorophenyl)propan-1-amine hydrochloride |
| IUPAC Name | 3-(2-chlorophenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12ClN.ClH/c10-9-6-2-1-4-8(9)5-3-7-11;/h1-2,4,6H,3,5,7,11H2;1H |
| InChI Key | DPTRHEYYVHFJLR-UHFFFAOYSA-N |
| MDL Number | MFCD18089438 |
| Molecular Formula | C9H13Cl2N |
| Molecular Weight | 206.1122 |
| SMILES | C1(=CC=CC=C1CCCN)Cl.Cl |
| Synonyms | 3-(2-chlorophenyl)propan-1-amine hydrochloride,
[3-(2-chlorophenyl)propyl]amine hydrochloride,
879663-52-2,
AC1Q3DBC,
SCHEMBL17260643,
MFCD18089438,
AKOS027426943,
NE49301,
EN300-72008,
A-7131,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.11g/mol |
| Monoisotopic Mass | 205.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number