| CAS Number | 1158735-57-9 |
| Catalog Number | AG00J3WR |
| Chemical Name | 2-[(4-pyridinylmethyl)amino]-1-butanol hydrochloride |
| IUPAC Name | 2-(pyridin-4-ylmethylamino)butan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H16N2O.ClH/c1-2-10(8-13)12-7-9-3-5-11-6-4-9;/h3-6,10,12-13H,2,7-8H2,1H3;1H |
| InChI Key | ZKAANTJWQIOOOI-UHFFFAOYSA-N |
| MDL Number | MFCD07106223 |
| Molecular Formula | C10H17ClN2O |
| Molecular Weight | 216.7078 |
| SMILES | N1C=CC(=CC=1)CNC(CC)CO.Cl |
| Synonyms | 2-[(4-Pyridinylmethyl)amino]-1-butanol hydrochloride,
1158735-57-9,
ZX-CM017685,
MFCD07106223,
AKOS024397833,
MCULE-8419679871,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.709g/mol |
| Monoisotopic Mass | 216.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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