| CAS Number | 1177198-30-9 |
| Catalog Number | AG008S79(AGN-PC-0WD8DQ) |
| Chemical Name | trans-4-Amino-1-benzyl-3-hydroxymethyl piperidine |
| IUPAC Name | [(3S,4S)-4-amino-1-benzylpiperidin-3-yl]methanol |
| InChI | InChI=1S/C13H20N2O/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13+/m1/s1 |
| InChI Key | CZCYWYTZXZUBOO-OLZOCXBDSA-N |
| MDL Number | MFCD03839871 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | N[C@H]1CCN(CC2=CC=CC=C2)C[C@@H]1CO |
| Synonyms | (trans-4-amino-1-benzylpiperidin-3-yl)methanol,
trans-4-Amino-1-benzyl-3-hydroxymethyl piperidine,
1260670-31-2,
1177198-30-9,
DTXSID00653116,
ZINC2512957,
MFCD03839871,
FCH4107928,
AS-36896,
AB0075396,
AX8039978,
X-2652,
S14-2848,
(3S,4S)-4-Amino-1-benzyl-3-(hydroxymethyl)piperidine,
[(3S,4S)-4-Amino-1-benzylpiperidin-3-yl]methanol,
1082743-70-1,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number