| CAS Number | 474263-67-7 |
| Catalog Number | AG00J3U3 |
| Chemical Name | 2-(benzylamino)-3-(1H-imidazol-5-yl)-1-propanol hydrochloride |
| IUPAC Name | 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C13H17N3O.ClH/c17-9-13(6-12-8-14-10-16-12)15-7-11-4-2-1-3-5-11;/h1-5,8,10,13,15,17H,6-7,9H2,(H,14,16);1H |
| InChI Key | KTRSUYWRRVGOFV-UHFFFAOYSA-N |
| MDL Number | MFCD03707734 |
| Molecular Formula | C13H18ClN3O |
| Molecular Weight | 267.7545 |
| SMILES | N1C=C(NC=1)CC(CO)NCC1C=CC=CC=1.Cl |
| Synonyms | 2-(Benzylamino)-3-(1H-imidazol-5-yl)-1-propanol hydrochloride,
474263-67-7,
Cambridge id 6963959,
CCG-4979,
ZX-CM017108,
MFCD03707734,
SR-01000501398,
SR-01000501398-1,
339207-77-1,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.757g/mol |
| Monoisotopic Mass | 267.114g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number