| CAS Number | 125033-36-5 |
| Catalog Number | AG01AJZ8(AGN-PC-0WO13M) |
| Chemical Name | 3-(Aminomethyl)-1-benzylpyrrolidin-3-ol |
| IUPAC Name | 3-(aminomethyl)-1-benzylpyrrolidin-3-ol |
| InChI | InChI=1S/C12H18N2O/c13-9-12(15)6-7-14(10-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10,13H2 |
| InChI Key | WOBFUTIRYFVZBC-UHFFFAOYSA-N |
| MDL Number | MFCD12169429 |
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.2841 |
| SMILES | NCC1(CN(CC2=CC=CC=C2)CC1)O |
| Synonyms | 3-(aminomethyl)-1-benzylpyrrolidin-3-ol,
125033-36-5,
SCHEMBL4511014,
WOBFUTIRYFVZBC-UHFFFAOYSA-N,
AKOS009470968,
MCULE-7709689867,
BS-12182,
DA-13593,
3-Aminomethyl-1-benzyl-3-hydroxypyrrolidine,
FT-0761107,
EN300-82290,
Z1816725432,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.289g/mol |
| Monoisotopic Mass | 206.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number