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119-95-9 | Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-
CAS No: 119-95-9 Catalog No: AG000P0R MDL No:MFCD00045976
Product Description
Catalog Number:
AG000P0R
Chemical Name:
Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-
CAS Number:
119-95-9
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD00045976
IUPAC Name:
3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
InChI:
InChI=1S/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3
InChI Key:
OSNNWHRYDJYFJL-UHFFFAOYSA-N
SMILES:
OCCN(c1cccc(c1)C)CCC#N
EC Number:
204-360-1
NSC Number:
329205
Properties
Complexity:
221
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:
5
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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