CAS 1045-25-7|CAS 10045-25-7|1,4,7,10-tetraazacyclododecane tetrahydrochloride|cyclen tetrahydrochloride|Tetraaza-12-crown-4 tetrahydrochloride|1,4,7,10-四氮杂环十二烷四盐酸盐|Cyclen tetrahydrochlo...

General Information

Structure

Molecular Formula

C₈H₂₄Cl₄N₄

Molecular Mass

318.11496

Exact Mass

316.07550751

Charge

InChI

InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H

InChIKey

SBWLCGZEBQGYRP-UHFFFAOYSA-N

Canonic Smiles

N1CCNCCNCCNCC1.Cl.Cl.Cl.Cl

Isomeric Smiles

Cl.Cl.Cl.Cl.C1CNCCNCCNCCN1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-8.282568

LogD (pH = 7.4)

-5.984462

Log P

-1.4576137

Molar Refractivity

50.8976

Polarizability

20.854433

Polar Surface Area

48.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,4,7,10-tetraazacyclododecane tetrahydrochloride

IUPAC Traditional name

cyclen tetrahydrochloride

Synonyms

Tetraaza-12-crown-4 tetrahydrochloride1,4,7,10-四氮杂环十二烷四盐酸盐Cyclen tetrahydrochloride1,4,7,10-Tetraazacyclododecane tetrahydrochloride轮环藤宁四盐酸盐Cyclen tetrahydrochloride1,4,7,10-Tetraazacyclododecane tetrahydrochloride轮环藤宁四盐酸盐1,4,7,10-四氮环十二烷四盐酸盐1,4,7,10-四氮环十二烷四盐酸盐

Names and Identifiers

Registration numbers

PubChem SID

2488876424867136160970337

MDL Number

CAS Number

Beilstein Number

PubChem CID