Home Nitriles 2-amino-5-butylbenzonitrile

2-amino-5-butylbenzonitrile

CAS No.:
1026684-22-9
Catalog Number:
AG01DUXE
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG01DUXE
Chemical Name:
2-amino-5-butylbenzonitrile
CAS Number:
1026684-22-9
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD24283924
IUPAC Name:
2-amino-5-butylbenzonitrile
InChI:
InChI=1S/C11H14N2/c1-2-3-4-9-5-6-11(13)10(7-9)8-12/h5-7H,2-4,13H2,1H3
InChI Key:
UYTCHVNBUZZWCW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C#N)N
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties