Home Nitriles 3-(3-Aminopropoxy)benzonitrile

3-(3-Aminopropoxy)benzonitrile

CAS No.:
785760-03-4
Catalog Number:
AG003I21
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG003I21
Chemical Name:
3-(3-Aminopropoxy)benzonitrile
CAS Number:
785760-03-4
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD16495891
IUPAC Name:
3-(3-aminopropoxy)benzonitrile
InChI:
InChI=1S/C10H12N2O/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,11H2
InChI Key:
ICIHMVWGUZWIDU-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)C#N
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties