| CAS Number | 152973-80-3 |
| Catalog Number | AG00ASW1 |
| Chemical Name | 3-(4-Chlorophenoxy)propan-1-amine, HCl |
| IUPAC Name | 3-(4-chlorophenoxy)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c10-8-2-4-9(5-3-8)12-7-1-6-11;/h2-5H,1,6-7,11H2;1H |
| InChI Key | GCTQVZFPPFPESL-UHFFFAOYSA-N |
| MDL Number | MFCD11036181 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | NCCCOc1ccc(cc1)Cl.Cl |
| Synonyms | 152973-80-3,
3-(4-CHLOROPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE,
3-(4-chlorophenoxy)propan-1-aminehydrochloride,
SCHEMBL1534353,
CTK8H0613,
DTXSID90702046,
GCTQVZFPPFPESL-UHFFFAOYSA-N,
MFCD11036181,
AKOS027439302,
3-(4-Chlorophenoxy)propan-1-amine, HCl,
K-4842,
3-(4-chlorophenoxy)-1-propanamine hydrochloride,
3-(4-Chlorophenoxy)propan-1-amine--hydrogen chloride (1/1),
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number