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173316-38-6 | Benzonitrile, 2-(cyclopentylamino)-
CAS No: 173316-38-6 Catalog No: AG001YSD MDL No:MFCD11144623
Product Description
Catalog Number:
AG001YSD
Chemical Name:
Benzonitrile, 2-(cyclopentylamino)-
CAS Number:
173316-38-6
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD11144623
IUPAC Name:
2-(cyclopentylamino)benzonitrile
InChI:
InChI=1S/C12H14N2/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7H2
InChI Key:
HQNZERYGSHXNGF-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC1CCCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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