Name: Name:4-(Trans-4'-n-propylcyclohexyl)benzonitrile
Brand: Angene
SKU: AG003E91
Rating: 90 (10 reviews)

4-(Trans-4'-n-propylcyclohexyl)benzonitrile

CAS No.:

61203-99-4

Catalog Number:

AG003E91

Molecular Formula:

C16H21N

Molecular Weight:

227.3446

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>98.0%(GC)

1 week

United States

$191

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Catalog Number:

AG003E91

Chemical Name:

4-(Trans-4'-n-propylcyclohexyl)benzonitrile

CAS Number:

61203-99-4

Molecular Formula:

C16H21N

Molecular Weight:

227.3446

MDL Number:

MFCD04038799

IUPAC Name:

4-(4-propylcyclohexyl)benzonitrile

InChI:

InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3

InChI Key:

XXUSEPRYHRDKFV-UHFFFAOYSA-N

SMILES:

CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#N

EC Number:

262-654-5

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.167g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.351g/mol

Monoisotopic Mass:

227.167g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5