| CAS Number | 1183558-44-2 |
| Catalog Number | AG01A52J(AGN-PC-0WOBKU) |
| Chemical Name | 1-(3,4-Dichlorophenyl)pyrrolidin-3-amine |
| IUPAC Name | 1-(3,4-dichlorophenyl)pyrrolidin-3-amine |
| InChI | InChI=1S/C10H12Cl2N2/c11-9-2-1-8(5-10(9)12)14-4-3-7(13)6-14/h1-2,5,7H,3-4,6,13H2 |
| InChI Key | JVTFJIMHNCNHEK-UHFFFAOYSA-N |
| MDL Number | MFCD12164694 |
| Molecular Formula | C10H12Cl2N2 |
| Molecular Weight | 231.1217 |
| SMILES | NC1CN(C2=CC(Cl)=C(Cl)C=C2)CC1 |
| Synonyms | 1-(3,4-dichlorophenyl)pyrrolidin-3-amine,
1183558-44-2,
SCHEMBL14275554,
AKOS010080117,
NE18355,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.12g/mol |
| Monoisotopic Mass | 230.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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