Home Nitriles 2-(3-Aminopropoxy)benzonitrile

2-(3-Aminopropoxy)benzonitrile

CAS No.:
444574-75-8
Catalog Number:
AG00DBTU
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG00DBTU
Chemical Name:
2-(3-Aminopropoxy)benzonitrile
CAS Number:
444574-75-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD16495892
IUPAC Name:
2-(3-aminopropoxy)benzonitrile
InChI:
InChI=1S/C10H12N2O/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5H,3,6-7,11H2
InChI Key:
QQVAZWABKCUECQ-UHFFFAOYSA-N
SMILES:
NCCCOc1ccccc1C#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:
1.4  
Properties