CAS 162377-66-4 | Benzonitrile, 4-(1-azetidinyl)- | CAS Number 162377-66-4

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162377-66-4 | Benzonitrile, 4-(1-azetidinyl)-

CAS No: 162377-66-4 Catalog No: AG001T2J MDL No:

Product Description

Catalog Number:

AG001T2J

Chemical Name:

Benzonitrile, 4-(1-azetidinyl)-

CAS Number:

162377-66-4

Molecular Formula:

C10H10N2

Molecular Weight:

158.1998

IUPAC Name:

4-(azetidin-1-yl)benzonitrile

InChI:

InChI=1S/C10H10N2/c11-8-9-2-4-10(5-3-9)12-6-1-7-12/h2-5H,1,6-7H2

InChI Key:

KVOXUIQIFQLPFA-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)N1CCC1

Properties

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.204g/mol

Monoisotopic Mass:

158.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Excited state intramolecular charge transfer reaction in nonaqueous electrolyte solutions: temperature dependence.	The Journal of chemical physics 20090807
Excited state intramolecular charge transfer reaction in binary mixtures of water and tertiary butanol (TBA): alcohol mole fraction dependence.	The journal of physical chemistry. A 20080207
Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: steady-state spectroscopic studies.	The journal of physical chemistry. A 20071115
Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: time-resolved fluorescence emission studies.	The journal of physical chemistry. A 20071115
Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles.	The journal of physical chemistry. B 20050203