Basic information
- CAS
55212-32-3- Standard SMILES
COc1cccc(CN2CCNCC2)c1- InChIKey
BYWNAISVQHRFEE-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 1-(3-Methoxybenzyl)piperazine
- IUPAC
- 1-[(3-methoxyphenyl)methyl]piperazine
- English name
- 1-(3-METHOXYBENZYL)PIPERAZINE
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
1-(3-methoxybenzyl)piperazine55212-32-3DTXSID20330255RefChem:224466DTXCID802813501-[(3-methoxyphenyl)methyl]piperazine1-(3-Methoxy-benzyl)-piperazine3-methoxybenzyl piperazineMFCD018608443-methoxy-1-(piperazinylmethyl)benzeneOprea1_707657Oprea1_762835
Show more names
AKOS B004008BUTTPARK 33\11-03ART-CHEM-BB B004008TIMTEC-BB SBB007007CHEMBRDG-BB 4103037Piperazine, 1-[(3-methoxyphenyl)methyl]-1-(3-methoxybenzyl)piperazine(SALTDATA: 2.5CF3COOH)
SCHEMBL2200448SCHEMBL38470581-(3-methoxybenzyl) piperazineCHEMBL1625445SCHEMBL29463795BYWNAISVQHRFEE-UHFFFAOYSA-NSMSF0013187SBB007007
Database identifiers
- CAS
55212-32-3- PubChem CID
- 428285
- DTXSID
DTXSID20330255- ChEMBL
CHEMBL1625445
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P362+P364-P332+P313-P403+P235
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P362+P364-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
安特希（苏州）生物科技有限公司19951207836 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
9 records
Compound notes
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