Name: Name:(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile
Brand: Angene
SKU: AG003AF1
Rating: 90 (10 reviews)

(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile

CAS No.:

65355-35-3

Catalog Number:

AG003AF1

Molecular Formula:

C16H27N

Molecular Weight:

233.3923

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.214g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.399g/mol

Monoisotopic Mass:

233.214g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties