| CAS Number | 1049606-38-3 |
| Catalog Number | AG019MER |
| Chemical Name | 3-amino-1-phenyl-2-[(pyrrolidin-1-yl)methyl]propan-1-ol |
| IUPAC Name | 2-(aminomethyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol |
| InChI | InChI=1S/C14H22N2O/c15-10-13(11-16-8-4-5-9-16)14(17)12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11,15H2 |
| InChI Key | UZWVWBHOYQMCCA-UHFFFAOYSA-N |
| MDL Number | MFCD10686808 |
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.3373 |
| SMILES | NCC(C(C1=CC=CC=C1)O)CN1CCCC1 |
| Synonyms | 3-amino-1-phenyl-2-(pyrrolidin-1-ylmethyl)propan-1-ol,
1049606-38-3,
AC1Q53MG,
CTK7E2018,
AKOS033103888,
MCULE-7341960784,
NE59388,
EN300-35968,
Z1142870777,
3-amino-1-phenyl-2-[(pyrrolidin-1-yl)methyl]propan-1-ol,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.343g/mol |
| Monoisotopic Mass | 234.173g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number