4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol Preparation Kit - CAS 870193-42-3
Catalog: |
BB076062 |
Product Name: |
4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol Preparation Kit |
CAS: |
870193-42-3 |
Synonyms: |
4-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol; 4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol Preparation Kit; (Preparation Kit)" |
IUPAC Name: | 4-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol |
Molecular Weight: | 220.31 |
Molecular Formula: | C13H20N2O |
Canonical SMILES: | CC=CN(C)CCCC(C1=CN=CC=C1)O |
InChI: | InChI=1S/C13H20N2O/c1-3-9-15(2)10-5-7-13(16)12-6-4-8-14-11-12/h3-4,6,8-9,11,13,16H,5,7,10H2,1-2H3/b9-3+ |
InChI Key: | FXHQYUYOAGYBTE-YCRREMRBSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 220.157563266 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.157563266 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 36.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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