3-[(2S,3S)-3-Amino-1-(4-chlorophenyl)-2-butyl]benzonitrile - CAS 732982-66-0
Catalog: |
BB034816 |
Product Name: |
3-[(2S,3S)-3-Amino-1-(4-chlorophenyl)-2-butyl]benzonitrile |
CAS: |
732982-66-0 |
Synonyms: |
3-[(2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl]benzonitrile; 3-[(2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl]benzonitrile |
IUPAC Name: | 3-[(2S,3S)-3-amino-1-(4-chlorophenyl)butan-2-yl]benzonitrile |
Description: | 3-[(2S,3S)-3-Amino-1-(4-chlorophenyl)-2-butyl]benzonitrile (CAS# 732982-66-0 ) is a useful research chemical. |
Molecular Weight: | 284.78 |
Molecular Formula: | C17H17ClN2 |
Canonical SMILES: | CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)N |
InChI: | InChI=1S/C17H17ClN2/c1-12(20)17(10-13-5-7-16(18)8-6-13)15-4-2-3-14(9-15)11-19/h2-9,12,17H,10,20H2,1H3/t12-,17+/m0/s1 |
InChI Key: | DUGNQLMMMIZIFR-YVEFUNNKSA-N |
Boiling Point: | 402.54 ℃ at 760 mmHg |
Density: | 1.179 g/cm3 |
LogP: | 4.58548 |
Publication Number | Title | Priority Date |
AU-2007254361-A1 | Substituted esters as Cannabinoid-1 receptor modulators | 20060518 |
CA-2652259-A1 | Substituted esters as cannabinoid-1 receptor modulators | 20060518 |
JP-2009545518-A | Substituted esters as cannabinoid-1 receptor modulators | 20060518 |
US-2012135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | 20060518 |
AU-2004287849-A1 | Aralkyl amines as cannabinoid receptor modulators | 20031030 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.1080262 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.1080262 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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