Basic information
- CAS
198281-55-9- Standard SMILES
CN1CCN(Cc2cccc(N)c2)CC1- InChIKey
ZGPHZHCPWKOKDX-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789761
Names & identifiers
- Preferred name
- 3-[(4-Methylpiperazin-1-yl)methyl]aniline
- IUPAC
- 3-[(4-methylpiperazin-1-yl)methyl]aniline
- English name
- 3-(4-Methyl-piperazin-1-ylmethyl)-aniline
- Molecular formula
- C12H19N3
- Molecular weight
- 205.3
Names & synonyms
3-[(4-methylpiperazin-1-yl)methyl]aniline3-((4-methylpiperazin-1-yl)methyl)anilineDTXSID00424409RefChem:496498DTXCID80375243992-552-2198281-55-93-[(4-methyl-1-piperazinyl)methyl]aniline3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-ANILINEMFCD06804545Benzenamine, 3-[(4-methyl-1-piperazinyl)methyl]-3-(4-Methyl-piperazin-1-ylmethyl)-phenylamine
Show more names
TIMTEC-BB SBB007471
3-(4-Methyl-piperazin-1-ylmethyl)aniline3-(4-methylpiperazin-1-ylmethyl)aniline{3-[(4-Methylpiperazin-1-yl)methyl]phenyl}amineSCHEMBL62758SCHEMBL20146263-((4-METHYLPIPERAZIN-1-YL)METHYL) BENZENAMINESCHEMBL29715963ZGPHZHCPWKOKDX-UHFFFAOYSA-N
Database identifiers
- CAS
198281-55-9- PubChem CID
- 6484186
- DTXSID
DTXSID00424409- EC Number
- 992-552-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 334.8 · 334.8±27.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HS Code
- 2933599590 · 2933599590
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
Chemistry & industry
Applications
Uses3-[(4-Methylpiperazin-1-yl)methyl]aniline is used in preparation of pyrido[3,4-d]pyrimidin-4-ol derivs. as histone demethylase inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers28 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
Related reactions
14 records
Compound notes
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