1-(3,5-Dimethoxyphenyl)piperazine

HCID 2736205CAS 53557-93-0
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(OC)cc(N2CCNCC2)c1
InChIKey
COWMQOCYJSUFSB-UHFFFAOYSA-N
Molecular formula
C12H18N2O2
Average molar mass
222.28 g/mol
Monoisotopic mass
222.13682782

Names & identifiers

Preferred name
1-(3,5-Dimethoxyphenyl)piperazine
IUPAC
1-(3,5-dimethoxyphenyl)piperazine
English name
1-(3,5-Dimethoxyphenyl)piperazine
Molecular formula
C12H18N2O2
Molecular weight
222.28

Names & synonyms

1-(3,5-dimethoxyphenyl)piperazine53557-93-0DTXSID00371202RefChem:224080DTXCID20322236673-697-81-(3,5-Dimethoxyphenyl)-piperazine1-(3,5-dimethoxy-phenyl)piperazineMFCD000407641-(3,5-Dimethoxy-phenyl)-piperazinePiperazine,1-(3,5-dimethoxyphenyl)-Oprea1_352805
Show more names
4-(3,5-Dimethoxyphenyl)piperazinePiperazine, 1-(3,5-dimethoxyphenyl)-1-(3,5-Dimethoxyphenyl)piperazine 96%
SCHEMBL4435213,5-dimethoxyphenyl piperazineSCHEMBL3197670(3,5-dimethoxyphenyl)piperazineCHEMBL2335163COWMQOCYJSUFSB-UHFFFAOYSA-N1-(3,5-dimetoxyphenyl)piperazine1-(3,5-di methoxyphenyl)piperazine

Database identifiers

CAS
53557-93-0
PubChem CID
2736205
DTXSID
DTXSID00371202
ChEMBL
CHEMBL2335163
EC Number
673-697-8

Properties

Computed structural properties

XLogP
1.3
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
147 · 147-150°C 1mm
Density
1.08 · 1.080
pka
8.91 · 8.91±0.10(Predicted)
CAS DataBase Reference
53557 · 53557-93-0(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr
2810
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Suppliers39 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

99 records
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Linked notes

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