Name: Name:3-chloro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile
Brand: Angene
SKU: AG019SC7
Rating: 90 (10 reviews)

3-chloro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile

CAS No.:

864296-24-2

Catalog Number:

AG019SC7

Molecular Formula:

C13H16ClN3

Molecular Weight:

249.7392

Catalog Number:

AG019SC7

Chemical Name:

3-chloro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile

CAS Number:

864296-24-2

Molecular Formula:

C13H16ClN3

Molecular Weight:

249.7392

MDL Number:

MFCD17429377

IUPAC Name:

3-chloro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile

InChI:

InChI=1S/C13H16ClN3/c1-16-5-2-6-17(8-7-16)13-4-3-11(10-15)9-12(13)14/h3-4,9H,2,5-8H2,1H3

InChI Key:

PEIQRDFWKKDICG-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)Cl)N1CCCN(CC1)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.742g/mol

Monoisotopic Mass:

249.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6