Home Nitriles 3-{[(prop-2-en-1-yl)amino]methyl}benzonitrile

3-{[(prop-2-en-1-yl)amino]methyl}benzonitrile

CAS No.:
1019561-15-9
Catalog Number:
AG019Y7K
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
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Product Description
Catalog Number:
AG019Y7K
Chemical Name:
3-{[(prop-2-en-1-yl)amino]methyl}benzonitrile
CAS Number:
1019561-15-9
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD11138034
IUPAC Name:
3-[(prop-2-enylamino)methyl]benzonitrile
InChI:
InChI=1S/C11H12N2/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h2-5,7,13H,1,6,9H2
InChI Key:
APXXCLRLVMXMRK-UHFFFAOYSA-N
SMILES:
C=CCNCc1cccc(c1)C#N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties