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89608-47-9 | Cyclohexanecarbonitrile, 1,3-dimethyl-2-[(2-phenyl-1-aziridinyl)imino]-
CAS No: 89608-47-9 Catalog No: AG003XFU MDL No:
Product Description
Catalog Number:
AG003XFU
Chemical Name:
Cyclohexanecarbonitrile, 1,3-dimethyl-2-[(2-phenyl-1-aziridinyl)imino]-
CAS Number:
89608-47-9
Molecular Formula:
C17H21N3
Molecular Weight:
267.3687
IUPAC Name:
1,3-dimethyl-2-(2-phenylaziridin-1-yl)iminocyclohexane-1-carbonitrile
InChI:
InChI=1S/C17H21N3/c1-13-7-6-10-17(2,12-18)16(13)19-20-11-15(20)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-11H2,1-2H3
InChI Key:
VLKKBSRIQWCUDA-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCCC(C1=NN1CC1c1ccccc1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.376g/mol
Monoisotopic Mass:
267.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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