3-[(Diethylamino)methyl]benzonitrile - CAS 1016701-33-9
Catalog: |
BB067002 |
Product Name: |
3-[(Diethylamino)methyl]benzonitrile |
CAS: |
1016701-33-9 |
Synonyms: |
3-[(DIETHYLAMINO)METHYL]BENZONITRILE; 3-((Diethylamino)methyl)benzonitrile; 3-(diethylaminomethyl)benzonitrile |
IUPAC Name: | 3-(diethylaminomethyl)benzonitrile |
Description: | 3-[(Diethylamino)methyl]benzonitrile |
Molecular Weight: | 188.27 |
Molecular Formula: | C12H16N2 |
Canonical SMILES: | CCN(CC)CC1=CC(=CC=C1)C#N |
InChI: | InChI=1S/C12H16N2/c1-3-14(4-2)10-12-7-5-6-11(8-12)9-13/h5-8H,3-4,10H2,1-2H3 |
InChI Key: | BMKWUYAFNARSIL-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.131348519 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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