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87844-38-0 | Propanenitrile, 3-[[(3-methoxyphenyl)methyl]amino]-
CAS No: 87844-38-0 Catalog No: AG004GZC MDL No:
Product Description
Catalog Number:
AG004GZC
Chemical Name:
Propanenitrile, 3-[[(3-methoxyphenyl)methyl]amino]-
CAS Number:
87844-38-0
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
3-[(3-methoxyphenyl)methylamino]propanenitrile
InChI:
InChI=1S/C11H14N2O/c1-14-11-5-2-4-10(8-11)9-13-7-3-6-12/h2,4-5,8,13H,3,7,9H2,1H3
InChI Key:
VKFNYIINTIUZKW-UHFFFAOYSA-N
SMILES:
N#CCCNCc1cccc(c1)OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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