Benzonitrile,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-

Name: Benzonitrile,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-
SKU: ACM910036918
Rating: 5 (1 reviews)

CAS

910036-91-8

Catalog Number

ACM910036918

Category

Other Products

Molecular Weight

229.32076

Molecular Formula

C₁₄H₁₉N₃

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Specification

Synonyms

910036-91-8, 3-[(4-Methylhomopiperazin-1-yl)methyl]benzonitrile, SureCN2227678, CTK5G8756, MolPort-000-143-709, SBB097490, AKOS008947490, AG-H-73403, CC55916, KB-88023, 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile, 3-[(4-methyl-1,4-diazaperhydroepinyl)methyl]benzenecarbonitrile, 3-[(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)METHYL]BENZONITRILE

IUPAC Name

3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile

Canonical SMILES

CN1CCCN(CC1)CC2=CC=CC(=C2)C#N

InChI Key

WCQJGGDNUFLTPA-UHFFFAOYSA-N

Boiling Point

344.7ºC at 760mmHg

Flash Point

142.3ºC

Density

1.09g/cm³

Exact Mass

229.15800

Hazard Statements

C: Corrosive;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?

The molecular formula of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is C14H19N3.

When was the compound first created?

The compound was first created on February 29, 2008.

What is the IUPAC name of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?

The IUPAC name of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile.

What is the InChI key for Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?

The InChI key for Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is WCQJGGDNUFLTPA-UHFFFAOYSA-N.

What is the molecular weight of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?

The molecular weight of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is 229.32 g/mol.

How many hydrogen bond acceptors does Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] have?

Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] has 3 hydrogen bond acceptors.

What is the topological polar surface area of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?

The topological polar surface area of Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is 30.3 Å².

How many rotatable bond counts does Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] have?

Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] has 2 rotatable bond counts.

Is Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] a canonicalized compound?

Yes, Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] is a canonicalized compound.

When was the last modification made to the compound?

The last modification made to Benzonitrile, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] was on December 30, 2023.