Home Nitriles 2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile

2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile

CAS No.:
343776-88-5
Catalog Number:
AG019MG0
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
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Product Description
Catalog Number:
AG019MG0
Chemical Name:
2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile
CAS Number:
343776-88-5
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD10686836
IUPAC Name:
2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropanenitrile
InChI:
InChI=1S/C12H16N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,9H2,1-2H3
InChI Key:
WCZVTQMRUOZDCR-UHFFFAOYSA-N
SMILES:
OC(C(CN(C)C)C#N)c1ccccc1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties