1-(4-Chlorophenyl)-1,4-diazepane

HCID 21363820
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Basic information

CAS
41885-98-7
Standard SMILES
Clc1ccc(N2CCCNCC2)cc1
InChIKey
KNMPWEILMNUGJL-UHFFFAOYSA-N
Molecular formula
C11H15ClN2
Average molar mass
210.7 g/mol
Monoisotopic mass
210.09237616

Names & identifiers

Preferred name
1-(4-Chlorophenyl)-1,4-diazepane
IUPAC
1-(4-chlorophenyl)-1,4-diazepane
English name
1-(4-Chlorophenyl)-[1,4]diazepane
Molecular formula
C11H15ClN2
Molecular weight
210.7

Names & synonyms

1-(4-chlorophenyl)-1,4-diazepane41885-98-71-(4-CHLOROPHENYL)-[1,4]DIAZEPANESCHEMBL658716SCHEMBL2093938DTXSID50612733KNMPWEILMNUGJL-UHFFFAOYSA-NAKOS0109417701-(4-Chloro-phenyl)-[1,4]diazepane1-(4-Chlorophenyl)hexahydro-1H-1,4-diazepine1H-1,4-Diazepine, 1-(4-chlorophenyl)hexahydro-

Database identifiers

CAS
41885-98-7
PubChem CID
21363820
DTXSID
DTXSID50612733

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
346.6 · 346.6±32.0 °C(Predicted)
Density
1.124 · 1.124±0.06 g/cm3(Predicted)
pka
10.36 · 10.36±0.20(Predicted)

Chemistry & industry

Suppliers1 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

17 records
New reaction record

Compound notes

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