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1747-81-5 | Acetonitrile, 2-[methyl(1-methyl-2-phenylethyl)amino]-
CAS No: 1747-81-5 Catalog No: AG001ZWB MDL No:
Product Description
Catalog Number:
AG001ZWB
Chemical Name:
Acetonitrile, 2-[methyl(1-methyl-2-phenylethyl)amino]-
CAS Number:
1747-81-5
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
2-[methyl(1-phenylpropan-2-yl)amino]acetonitrile
InChI:
InChI=1S/C12H16N2/c1-11(14(2)9-8-13)10-12-6-4-3-5-7-12/h3-7,11H,9-10H2,1-2H3
InChI Key:
CVCKCULRALGZGZ-UHFFFAOYSA-N
SMILES:
CC(N(CC#N)C)Cc1ccccc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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