| CAS Number | 1269394-29-7 |
| Catalog Number | AG00J1RI(AGN-PC-0WB70B) |
| Chemical Name | {[1-(2-Methylphenyl)-3-pyrrolidinyl]methyl}amine hydrochloride |
| IUPAC Name | [1-(2-methylphenyl)pyrrolidin-3-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H18N2.ClH/c1-10-4-2-3-5-12(10)14-7-6-11(8-13)9-14;/h2-5,11H,6-9,13H2,1H3;1H |
| InChI Key | WSBKDBCMEAXRAF-UHFFFAOYSA-N |
| MDL Number | MFCD18483430 |
| Molecular Formula | C12H19ClN2 |
| Molecular Weight | 226.7457 |
| SMILES | N1(CCC(CN)C1)C1=CC=CC=C1C.Cl |
| Synonyms | 1269394-29-7,
{[1-(2-methylphenyl)-3-pyrrolidinyl]methyl}amine hydrochloride,
ZX-CM005926,
MFCD18483430,
AKOS027426336,
MCULE-7766490667,
(1-(o-Tolyl)pyrrolidin-3-yl)methanamine hydrochloride,
1-[1-(2-METHYLPHENYL)-3-PYRROLIDINYL]METHANAMINE HYDROCHLORIDE,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.748g/mol |
| Monoisotopic Mass | 226.124g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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