| CAS Number | 926187-27-1 |
| Catalog Number | AG019KYI |
| Chemical Name | (2-{4-[(pyrrolidin-1-yl)methyl]phenyl}phenyl)methanamine |
| IUPAC Name | [2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methanamine |
| InChI | InChI=1S/C18H22N2/c19-13-17-5-1-2-6-18(17)16-9-7-15(8-10-16)14-20-11-3-4-12-20/h1-2,5-10H,3-4,11-14,19H2 |
| InChI Key | WSKQPLKZRFNERD-UHFFFAOYSA-N |
| MDL Number | MFCD09049744 |
| Molecular Formula | C18H22N2 |
| Molecular Weight | 266.3807 |
| SMILES | NCC1=C(C2=CC=C(CN3CCCC3)C=C2)C=CC=C1 |
| Synonyms | {2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl}methanamine,
926187-27-1,
[4'-(pyrrolidin-1-ylmethyl)-1,1'-biphenyl-2-yl]methylamine,
CTK8F2520,
ZINC12769449,
AKOS000133219,
MCULE-2110587619,
NE21703,
NCGC00326633-01,
EN300-29011,
AB01188422-03,
AC1Q53RE,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.178299g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.4g/mol |
| Monoisotopic Mass | 266.178299g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number