structure of 2-{4-[(dimethylamino)methyl]phenyl}benzonitrile

2-{4-[(dimethylamino)methyl]phenyl}benzonitrile

CAS No.: 1000930-96-0
M. Wt: 236.31200
M. Fa: C16H16N2
InChI Key: IVTBYGAHXYCWQD-UHFFFAOYSA-N

Names and Identifiers of 1000930-96-0

CAS Number

1000930-96-0

MDL Number

MFCD09802084

IUPAC Name

4'-[(dimethylamino)methyl]-[1,1'-biphenyl]-2-carbonitrile

InChI

InChI=1S/C16H16N2/c1-18(2)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-17/h3-10H,12H2,1-2H3

InChIKey

IVTBYGAHXYCWQD-UHFFFAOYSA-N

Canonical SMILES

CN(C)CC1=CC=C(C2=CC=CC=C2C#N)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000930-96-0

Exact Mass

236.13100

H Bond Acceptors

2

H Bond Donors

0

LogP

3.28688

Molecular Formula

C16H16N2

Molecular Weight

236.31200

PSA

27.03000

Safety Information of 1000930-96-0

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Retrosynthesis analysis of 1000930-96-0

  • Route#1

    Cas:114772-54-2
    Cas:1000930-96-0