1-(3,4-Dimethoxyphenyl)piperazine

HCID 2736207
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Basic information

CAS
16015-73-9
Standard SMILES
COc1ccc(N2CCNCC2)cc1OC
InChIKey
XYJCQRIUCCQSKC-UHFFFAOYSA-N
Molecular formula
C12H18N2O2
Average molar mass
222.28 g/mol
Monoisotopic mass
222.13682782

Names & identifiers

Preferred name
1-(3,4-Dimethoxyphenyl)piperazine
IUPAC
1-(3,4-dimethoxyphenyl)piperazine
English name
Piperazine, 1-(3,4-dimethoxyphenyl)-
Molecular formula
C12H18N2O2
Molecular weight
222.28

Names & synonyms

1-(3,4-dimethoxyphenyl)piperazine16015-73-9Piperazine, 1-(3,4-dimethoxyphenyl)-Oprea1_358731SCHEMBL361649SCHEMBL41472573,4-dimethoxy phenyl piperazineDTXSID60371203XYJCQRIUCCQSKC-UHFFFAOYSA-NN-(3,4-dimethoxyphenyl)piperazineGS1650AKOS003587699
Show more names
EN300-1655838

Database identifiers

CAS
16015-73-9
PubChem CID
2736207
DTXSID
DTXSID60371203

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
33.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Boiling point
381.7 · 381.7±42.0 °C(Predicted)
Density
1.08 · 1.080±0.06 g/cm3(Predicted)
pka
8.88 · 8.88±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

UsesLabeled N-(3,4-Dimethoxyphenyl)piperazine which is used in the preparation of piperazinyl/piperidinyl napthoquinone derivatives.

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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