2-Methyl-1-phenylpiperazine
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Basic information
- CAS
2946-76-1- Standard SMILES
CC1CNCCN1c1ccccc1- InChIKey
DCRJYZGRZCZYJZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- 2-Methyl-1-phenylpiperazine
- IUPAC
- 2-methyl-1-phenylpiperazine
- English name
- 2-methyl-1-phenylpiperazine
- Molecular formula
- C11H16N2
- Molecular weight
- 176.26
Names & synonyms
2-Methyl-1-phenylpiperazine2946-76-1EINECS 220-961-1NSC 75622RefChem:88013220-961-1Piperazine, 2-methyl-1-phenyl-MFCD000231221-phenyl-2-methylpiperazine2-methyl-1-phenyl-piperazineNSC75622NCIOpen2_000857
Show more names
Piperazine, 2-methyl-1-phenyl- (6CI,7CI,8CI,9CI)
SCHEMBL1028438SCHEMBL2072657SCHEMBL2975110SCHEMBL6865906SCHEMBL11565538SCHEMBL28259555DTXSID801310092CAA94676
Database identifiers
- CAS
2946-76-1- PubChem CID
- 98086
- DTXSID
DTXSID801310092- EC Number
- 220-961-1
- Nikkaji
- J306.876E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 115 · 115-125 °C(Press: 1 Torr)
- Density
- 0.991 · 0.991±0.06 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (95%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
4 records
Compound notes
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