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65355-35-3 | (trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile
CAS No: 65355-35-3 Catalog No: AG003AF1 MDL No:MFCD11053435
Product Description
Catalog Number:
AG003AF1
Chemical Name:
(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile
CAS Number:
65355-35-3
Molecular Formula:
C16H27N
Molecular Weight:
233.3923
MDL Number:
MFCD11053435
IUPAC Name:
4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3
InChI Key:
GPKWICXATIXXQY-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C#N
EC Number:
265-712-8
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.399g/mol
Monoisotopic Mass:
233.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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