CAS 18851-33-7|CAS 3829-86-5|1,10-phenanthroline hydrate hydrochloride|1,10-phenanthroline hydrate hydrochloride|o-PHENANTHROLINE HYDROCHLORIDE|1,10-Phenanthroline hydrochloride monohydrate|1,10-菲咯...

General Information

Structure

Molecular Formula

C₁₂H₁₁ClN₂O

Molecular Mass

234.68154

Exact Mass

234.05599066

Charge

InChI

InChI=1S/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2

InChIKey

NDLHUHRGAIHALB-UHFFFAOYSA-N

Canonic Smiles

c1ccc2c(n1)c1ncccc1cc2.O.Cl

Isomeric Smiles

n1cccc2c1c1c(cc2)cccn1.O.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2141137

LogD (pH = 7.4)

2.287525

Log P

2.2885551

Molar Refractivity

53.9006

Polarizability

23.776546

Polar Surface Area

25.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1,10-phenanthroline hydrate hydrochloride phen hydrate hydrochloride

IUPAC name

1,10-phenanthroline hydrate hydrochloride

Synonyms

o-PHENANTHROLINE HYDROCHLORIDE1,10-Phenanthroline hydrochloride monohydrate1,10-菲咯啉盐酸盐一水合物邻菲咯啉盐酸盐一水合物o-Phenanthroline hydrochloride monohydrate1,10-Phenanthroline hydrochloride monohydrate1,10-菲咯啉盐酸盐一水合物1,10-菲咯啉单盐酸盐一水合物1,10-Phenanthroline monohydrochloride monohydrate1,10-Phenanthroline hydrochloride monohydrate1,10-邻二氮杂菲一盐酸盐一水合物

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

EC Number

PubChem SID

248872022486029024898183162068082