Name: Name:Cyclohexanecarbonitrile, 4-methyl-1-(methylamino)- (9CI)
Brand: Angene
SKU: AG00GNRA
Rating: 90 (10 reviews)

Cyclohexanecarbonitrile, 4-methyl-1-(methylamino)- (9CI)

CAS No.:

790263-34-2

Catalog Number:

AG00GNRA

Molecular Formula:

C9H16N2

Molecular Weight:

152.2367

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00GNRA

Chemical Name:

Cyclohexanecarbonitrile, 4-methyl-1-(methylamino)- (9CI)

CAS Number:

790263-34-2

Molecular Formula:

C9H16N2

Molecular Weight:

152.2367

MDL Number:

MFCD06357340

IUPAC Name:

4-methyl-1-(methylamino)cyclohexane-1-carbonitrile

InChI:

InChI=1S/C9H16N2/c1-8-3-5-9(7-10,11-2)6-4-8/h8,11H,3-6H2,1-2H3

InChI Key:

XBYWYHKMZWCSGF-UHFFFAOYSA-N

SMILES:

CNC1(C#N)CCC(CC1)C

Properties

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.241g/mol

Monoisotopic Mass:

152.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101