| CAS Number | 1609400-81-8 |
| Catalog Number | AG00J1CV(AGN-PC-0WB6ZL) |
| Chemical Name | [3-Chloro-2-(1-pyrrolidinyl)phenyl]amine dihydrochloride |
| IUPAC Name | 3-chloro-2-pyrrolidin-1-ylaniline;dihydrochloride |
| InChI | InChI=1S/C10H13ClN2.2ClH/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13;;/h3-5H,1-2,6-7,12H2;2*1H |
| InChI Key | GTNHZYVMUBMLTR-UHFFFAOYSA-N |
| MDL Number | MFCD13186182 |
| Molecular Formula | C10H15Cl3N2 |
| Molecular Weight | 269.5985 |
| SMILES | C1(C(=CC=CC=1N)Cl)N1CCCC1.Cl.Cl |
| Synonyms | 1609400-81-8,
[3-Chloro-2-(1-pyrrolidinyl)phenyl]amine dihydrochloride,
3-Chloro-2-(pyrrolidin-1-yl)aniline dihydrochloride,
ZX-CM003950,
MFCD13186182,
AKOS027426614,
3-chloro-2-(1-pyrrolidinyl)phenylamine dihydrochloride,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.594g/mol |
| Monoisotopic Mass | 268.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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