Home Nitriles 3-[(pentan-2-yl)amino]benzonitrile hydrochloride

3-[(pentan-2-yl)amino]benzonitrile hydrochloride

CAS No.:
1803566-95-1
Catalog Number:
AG01BGPB
Molecular Formula:
C12H17ClN2
Molecular Weight:
224.7298
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Product Description
Catalog Number:
AG01BGPB
Chemical Name:
3-[(pentan-2-yl)amino]benzonitrile hydrochloride
CAS Number:
1803566-95-1
Molecular Formula:
C12H17ClN2
Molecular Weight:
224.7298
MDL Number:
MFCD28125208
IUPAC Name:
3-(pentan-2-ylamino)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H16N2.ClH/c1-3-5-10(2)14-12-7-4-6-11(8-12)9-13;/h4,6-8,10,14H,3,5H2,1-2H3;1H
InChI Key:
OAGTZESRZPUXRX-UHFFFAOYSA-N
SMILES:
CCCC(Nc1cccc(c1)C#N)C.Cl
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.732g/mol
Monoisotopic Mass:
224.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties