| CAS Number | 2097938-67-3 |
| Catalog Number | AG01DU6Z |
| Chemical Name | 1-(4-PYRIDYL)-1-BUTYLAMINE DIHYDROCHLORIDE |
| IUPAC Name | 1-pyridin-4-ylbutan-1-amine;dihydrochloride |
| InChI | InChI=1S/C9H14N2.2ClH/c1-2-3-9(10)8-4-6-11-7-5-8;;/h4-7,9H,2-3,10H2,1H3;2*1H |
| InChI Key | BIZHBBFUWNAPCS-UHFFFAOYSA-N |
| MDL Number | MFCD31579904 |
| Molecular Formula | C9H16Cl2N2 |
| Molecular Weight | 223.1427 |
| SMILES | CCCC(C1=CC=NC=C1)N.[H]Cl.[H]Cl |
| Synonyms | 1-(Pyridin-4-yl)butan-1-amine dihydrochloride,
2097938-67-3,
KS-00000UBM,
AKOS032947147,
AK687508,
DS-20165,
1-(4-PYRIDYL)-1-BUTYLAMINE DIHYDROCHLORIDE,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.141g/mol |
| Monoisotopic Mass | 222.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number