Home Nitriles Benzonitrile, 3-(3-aminopropoxy)-, hydrochloride (1:1)

Benzonitrile, 3-(3-aminopropoxy)-, hydrochloride (1:1)

CAS No.:
210963-17-0
Catalog Number:
AG002L2P
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
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Product Description
Catalog Number:
AG002L2P
Chemical Name:
Benzonitrile, 3-(3-aminopropoxy)-, hydrochloride (1:1)
CAS Number:
210963-17-0
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD28101765
IUPAC Name:
3-(3-aminopropoxy)benzonitrile;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c11-5-2-6-13-10-4-1-3-9(7-10)8-12;/h1,3-4,7H,2,5-6,11H2;1H
InChI Key:
DZZWMMIGQBJYBL-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)C#N.Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties