Basic information
- CAS
303102-29-6- Standard SMILES
Cc1ccc(CN2CCN(/N=C/c3cccc(C)c3)CC2)cc1- InChIKey
QGMSXNMLJGFDAB-RCCKNPSSSA-N- Molecular formula
- C20H25N3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.20484781
Names & identifiers
- Preferred name
- 4-(4-Methylbenzyl)-N-(3-methylbenzylidene)-1-piperazinamine
- IUPAC
- (E)-1-(3-methylphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
- English name
- (1Z)-1-(3-methylphenyl)-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine
- Molecular formula
- C20H25N3
- Molecular weight
- 307.43
Names & synonyms
4-(4-METHYLBENZYL)-N-(3-METHYLBENZYLIDENE)-1-PIPERAZINAMINERefChem:514395303102-29-6683-822-8AKOS001026709ST504209971-[(1E)-2-(3-methylphenyl)-1-azavinyl]-4-[(4-methylphenyl)methyl]piperazine(1Z)-1-(3-methylphenyl)-N-{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanimine
Database identifiers
- CAS
303102-29-6- PubChem CID
- 6900543
- EC Number
- 683-822-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 467.089 · 467.089±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.047 · 1.047±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.811 · 6.811±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H410-H319-H335-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H410-H319-H335-H302
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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