| CAS Number | 1017417-73-0 |
| Catalog Number | AG00J64I(AGN-PC-0WOV05) |
| Chemical Name | [1-(4-chlorophenyl)pyrrolidin-3-yl]methanamine |
| IUPAC Name | [1-(4-chlorophenyl)pyrrolidin-3-yl]methanamine |
| InChI | InChI=1S/C11H15ClN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2 |
| InChI Key | GEOXMKVDLWJCQJ-UHFFFAOYSA-N |
| MDL Number | MFCD09947945 |
| Molecular Formula | C11H15ClN2 |
| Molecular Weight | 210.7032 |
| SMILES | NCC1CN(C2=CC=C(Cl)C=C2)CC1 |
| Synonyms | [1-(4-chlorophenyl)pyrrolidin-3-yl]methanamine,
1017417-73-0,
(1-(4-CHLOROPHENYL)PYRROLIDIN-3-YL)METHANAMINE,
AC1Q5479,
ALBB-026689,
AKOS000192625,
AKOS016050442,
MCULE-2135828588,
NE59654,
AS-38451,
T5885,
EN300-56881,
F2147-0265,
Z1262237397,
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]methanamine hydrochloride,
{[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl}amine hydrochloride,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number