Home Nitriles 2-[4-(aminomethyl)phenoxy]acetonitrile hydrochloride

2-[4-(aminomethyl)phenoxy]acetonitrile hydrochloride

CAS No.:
1251923-62-2
Catalog Number:
AG01AA39
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
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Product Description
Catalog Number:
AG01AA39
Chemical Name:
2-[4-(aminomethyl)phenoxy]acetonitrile hydrochloride
CAS Number:
1251923-62-2
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD16817552
IUPAC Name:
2-[4-(aminomethyl)phenoxy]acetonitrile;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c10-5-6-12-9-3-1-8(7-11)2-4-9;/h1-4H,6-7,11H2;1H
InChI Key:
PRRLNANRUDWRIT-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)OCC#N.Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties