Basic information
- CAS
23173-57-1- Standard SMILES
Cc1ccc(CN2CCNCC2)cc1- InChIKey
RNAXUUAJNMDESG-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(4-Methylbenzyl)piperazine
- IUPAC
- 1-[(4-methylphenyl)methyl]piperazine
- English name
- 1-(4-METHYLBENZYL)PIPERAZINE
- Molecular formula
- C12H18N2
- Molecular weight
- 190.29
Names & synonyms
1-(4-Methylbenzyl)piperazineRefChem:425866625-263-423173-57-11-[(4-methylphenyl)methyl]piperazinePiperazine,1-[(4-methylphenyl)methyl]-MFCD01075235[(4-methylphenyl)methyl]piperazine1-(4-methylbenzyl)-piperazine1-(4-Methyl-benzyl)-piperazine1-(4-Methyl-benzyl)-piperazinehydrochlorideBAS 01375866
Show more names
1-(4-MethyLAKOS B004004BUTTPARK 36\08-62AKOS BBS-00003645ART-CHEM-BB B004004TIMTEC-BB SBB003648MethylbenzylpiperazineI-(4-Methylbenzyl)piperazine1-(4-Methylbenzyl)piperazine 98%
4-methylbenzylpiperazine(4-methylbenzyl)piperazine1-(p-tolylmethyl)piperazineN-(4-methylbenzyl)piperazine4-(4-methylbenzyl)piperazineSCHEMBL245919SCHEMBL2097411SCHEMBL8195017
Database identifiers
- CAS
23173-57-1- PubChem CID
- 764723
- DTXSID
DTXSID60945847- EC Number
- 625-263-4
- Nikkaji
- J2.315.340H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 37 · 37-41 °C(lit.)
- Boiling point
- 115 · 115-117°C 1mm
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- Flash point
- 205 °F · 205 °F
- pka
- 9.16 · 9.16±0.10(Predicted)
- form
- solid
- InChI
- 1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
- InChIKey
- RNAXUUAJNMDESG-UHFFFAOYSA-N
- SMILES
- Cc1ccc(CN2CCNCC2)cc1
- CAS DataBase Reference
- 23173 · 23173-57-1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 a-P304+P340-P405-P501a-P261-P280-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Applications
Usesis a useful synthetic intermediate in the synthesis of 3-Desmethyl 4-Methyl Meclizine Dihydrochloride ; a metabolite of Meclizine (, 2HCl monohydrate) which is an antiemetic. 1-(4-Methylbenzyl)piperazine is also used in the synthesis of inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase
Suppliers36 total
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Related reactions
14 records
Compound notes
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