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857229-25-5 | Propionitrile, 3-diethylamino-2,2-dimethyl- (5CI)
CAS No: 857229-25-5 Catalog No: AG004SEJ MDL No:
Product Description
Catalog Number:
AG004SEJ
Chemical Name:
Propionitrile, 3-diethylamino-2,2-dimethyl- (5CI)
CAS Number:
857229-25-5
Molecular Formula:
C9H18N2
Molecular Weight:
154.2526
IUPAC Name:
3-(diethylamino)-2,2-dimethylpropanenitrile
InChI:
InChI=1S/C9H18N2/c1-5-11(6-2)8-9(3,4)7-10/h5-6,8H2,1-4H3
InChI Key:
IIJVYAKLZNDRFC-UHFFFAOYSA-N
SMILES:
CCN(CC(C#N)(C)C)CC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.147g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.257g/mol
Monoisotopic Mass:
154.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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