Basic information
- CAS
16153-81-4- Standard SMILES
CN1CCN(c2ccc(N)cc2)CC1- InChIKey
MOZNZNKHRXRLLF-UHFFFAOYSA-N- Molecular formula
- C11H17N3
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.14224754
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-1-yl)aniline
- IUPAC
- 4-(4-methylpiperazin-1-yl)aniline
- English name
- 4-(4-Methylpiperazino)aniline
- Molecular formula
- C11H17N3
- Molecular weight
- 191.27
Names & synonyms
4-(4-methylpiperazin-1-yl)anilineRefChem:514430675-543-516153-81-44-(4-Methylpiperazino)aniline4-(4-Methylpiperazin-1-yl)phenylamine4-(4-methyl-1-piperazinyl)aniline4-Methyl-1-(4-aminophenyl)piperazine1-(4-Aminophenyl)-4-methylpiperazineBenzenamine, 4-(4-methyl-1-piperazinyl)-MFCD001727034-(4-methylpiperazin-1-yl)benzenamine
Show more names
4-(4-MethyLAKOS B021941AKOS BB-8657piperazino)aniLART-CHEM-BB B021941OTAVA-BB BB7110920492
4-(4-Methyl-piperazin-1-yl)-phenylamineCHEMBL3414734-(4-methylpiperazinyl)phenylamineMLS000557450Oprea1_401071SCHEMBL56547SCHEMBL574835SCHEMBL574836
Database identifiers
- CAS
16153-81-4- PubChem CID
- 737253
- DTXSID
DTXSID90353214- ChEMBL
CHEMBL341473- EC Number
- 675-543-5
- Nikkaji
- J2.530.376H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 180 °C/5mmHg · 180°C/5mmHg(lit.)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 8.08 · 8.08±0.42(Predicted)
- color
- Very Dark Gray to Black
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
- InChIKey
- MOZNZNKHRXRLLF-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(N2CCN(C)CC2)C=C1
- CAS DataBase Reference
- 16153 · 16153-81-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H318-H332
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3259 · 3259
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (27.3%)
Safety data
- ridadr
- 3259
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H312-H314-H318-H332
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(4-Methylpiperazino)aniline is a reagent in the preparation of benzyloxypyridinone derivative which has c-Met kinase inhibitor properties.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
376 records
Compound notes
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