1-(2-Methylbenzyl)piperazine
Basic information
- CAS
5321-47-1- Standard SMILES
Cc1ccccc1CN1CCNCC1- InChIKey
GRVNOUKHAZXMJK-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(2-Methylbenzyl)piperazine
- IUPAC
- 1-[(2-methylphenyl)methyl]piperazine
- English name
- 1-(2-Methylbenzyl)piperazine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
1-(2-Methylbenzyl)piperazine5321-47-11-[(2-methylphenyl)methyl]piperazineEINECS 226-183-9DTXSID802012901-((2-Methylphenyl)methyl)piperazineRefChem:422471DTXCID80123781226-183-9MFCD022560261-(o-tolylmethyl)piperazine[(2-methylphenyl)methyl]piperazine
Show more names
AKOS B004006ART-CHEM-BB B004006CHEMBRDG-BB 4004071TIMTEC-BB SBB0070061-(2-METHYLBENZYL)PIPERAZINE ISO 9001：2015 REACH1-(2-methylbenzyl)piperazine(SALTDATA: 2HCl 0.14H2O)
1-(2-Methylbenzyl)-piperazinePiperazine, 1-[(2-methylphenyl)methyl]-KS-00001NNM2-methylbenzylpiperazineSCHEMBL5932841-(2-Methyl-benzyl)piperazine4V4B6T83BZSCHEMBL1855361
Database identifiers
- CAS
5321-47-1- PubChem CID
- 79212
- DTXSID
DTXSID80201290- ChEMBL
CHEMBL1622338- UNII
- 4V4B6T83BZ
- EC Number
- 226-183-9
- Nikkaji
- J298.001K
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
- 164
Physicochemical properties
- Boiling point
- 77 · 77-80 °C0.1 mm Hg(lit.)
- Density
- 0.998 g/mL · 0.998 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5430(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Liquid
- pka
- 9.14 · 9.14±0.10(Predicted)
- InChI
- 1S/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
- InChIKey
- GRVNOUKHAZXMJK-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1CN2CCNCC2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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