Home Nitriles 3-[1-hydroxy-2-(methylamino)ethyl]benzonitrile

3-[1-hydroxy-2-(methylamino)ethyl]benzonitrile

CAS No.:
672326-25-9
Catalog Number:
AG01C542
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01C542
Chemical Name:
3-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CAS Number:
672326-25-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD20545904
IUPAC Name:
3-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
InChI:
InChI=1S/C10H12N2O/c1-12-7-10(13)9-4-2-3-8(5-9)6-11/h2-5,10,12-13H,7H2,1H3
InChI Key:
AQPLVWQWPYLUSH-UHFFFAOYSA-N
SMILES:
CNCC(c1cccc(c1)C#N)O
Properties
Complexity:
196  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties