Home Nitriles 4-(cyclopropylamino)-3-methylbenzonitrile

4-(cyclopropylamino)-3-methylbenzonitrile

CAS No.:
1178127-98-4
Catalog Number:
AG01AJS2
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
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Product Description
Catalog Number:
AG01AJS2
Chemical Name:
4-(cyclopropylamino)-3-methylbenzonitrile
CAS Number:
1178127-98-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD12766883
IUPAC Name:
4-(cyclopropylamino)-3-methylbenzonitrile
InChI:
InChI=1S/C11H12N2/c1-8-6-9(7-12)2-5-11(8)13-10-3-4-10/h2,5-6,10,13H,3-4H2,1H3
InChI Key:
HXAWXHSGVPCOQX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)NC1CC1
Properties
Complexity:
224  
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:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties