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16499-30-2 | Cyclohexanecarbonitrile, 1-(dimethylamino)-
CAS No: 16499-30-2 Catalog No: AG001V7B MDL No:MFCD00086186
Product Description
Catalog Number:
AG001V7B
Chemical Name:
Cyclohexanecarbonitrile, 1-(dimethylamino)-
CAS Number:
16499-30-2
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
MDL Number:
MFCD00086186
IUPAC Name:
1-(dimethylamino)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
InChI Key:
SDHHZJUUIBWPPN-UHFFFAOYSA-N
SMILES:
CN(C1(CCCCC1)C#N)C
UNII:
L8BPW3H92K
NSC Number:
525355
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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