Basic information
- CAS
38869-07-7- Standard SMILES
COc1cc(N2CCNCC2)cc(OC)c1OC- InChIKey
QSTMOHFZTDLSBZ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethoxyphenyl)piperazine
- IUPAC
- 1-(3,4,5-trimethoxyphenyl)piperazine
- English name
- 1-(3,4,5-Trimethoxyphenyl)-piperazine hydrochloride
- Molecular formula
- C13H21ClN2O3
- Molecular weight
- 288.77
Names & synonyms
1-(3,4,5-trimethoxyphenyl)piperazineRefChem:422750972-747-9MFCD090274171-(3,4,5-TRIMETHOXYPHENYL)-PIPERAZINE HYDROCHLORIDESCHEMBL335755SCHEMBL7287666CHEMBL4563896QSTMOHFZTDLSBZ-UHFFFAOYSA-NAKOS0100827404-(3,4,5-trimethoxyphenyl)piperazineFT67280
Show more names
LABOTEST-BB LT002332391-(3,4,5-trimethoxyphenyl)piperazine HCL
1-(3, 4,5-trimethoxyphenyl)piperazineNS-03774EN300-135532G43095Z594273880
Database identifiers
- CAS
38869-07-7- PubChem CID
- 3838765
- ChEMBL
CHEMBL4563896- EC Number
- 972-747-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 210 °C · 210°C (dec.)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers7 total
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
APIN-NP[email protected]
LABOTEST-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
39 records
Compound notes
Loading…