| CAS Number | 1216431-19-4 |
| Catalog Number | AG00J41L(AGN-PC-0WRB0N) |
| Chemical Name | 3-[(4-pyridinylmethyl)amino]-1-propanol hydrochloride |
| IUPAC Name | 3-(pyridin-4-ylmethylamino)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C9H14N2O.ClH/c12-7-1-4-11-8-9-2-5-10-6-3-9;/h2-3,5-6,11-12H,1,4,7-8H2;1H |
| InChI Key | LHOFOOMQJCKVQC-UHFFFAOYSA-N |
| MDL Number | MFCD13194094 |
| Molecular Formula | C9H15ClN2O |
| Molecular Weight | 202.6812 |
| SMILES | N1=CC=C(CNCCCO)C=C1.Cl |
| Synonyms | 3-[(4-Pyridinylmethyl)amino]-1-propanol hydrochloride,
1216431-19-4,
ZX-CM018176,
MFCD13194094,
3-[(4-pyridinylmethyl)amino]-1-propanol,
7251-62-9,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.682g/mol |
| Monoisotopic Mass | 202.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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