Basic information
- CAS
70261-82-4- Standard SMILES
CN1CCN(Cc2ccc(N)cc2)CC1- InChIKey
NIXCVBFXLJWUTC-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789761
Names & identifiers
- Preferred name
- 4-((4-Methylpiperazin-1-yl)methyl)aniline
- IUPAC
- 4-[(4-methylpiperazin-1-yl)methyl]aniline
- English name
- 4-[(4-Methylpiperazin-1-yl)methyl]aniline
- Molecular formula
- C12H19N3
- Molecular weight
- 205.3
Names & synonyms
70261-82-44-[(4-methylpiperazin-1-yl)methyl]aniline4-((4-methylpiperazin-1-yl)methyl)anilineRefChem:509557810-436-04-(4-Methylpiperazin-1-ylmethyl)phenylamine4-(4-Methyl-piperazin-1-ylmethyl)-phenylamineMFCD037254181-(4-Aminobenzyl)-4-methylpiperazine4-(4-Methyl-piperazin-1-ylmethyl)phenylamine4-[(4-methyl-1-piperazinyl)methyl]benzenamine4-[(4-methyl-1-piperazinyl)methyl]benzeneamine
Show more names
FN1501AKOS BB-89551-methyl-4-(4-aminobenzyl)piperazine4-[(4-methyl-1-piperazinyl)methyl]aniline4-((4-methylpiperazin-1-yl)methyl)benzenamine4-[(4-Methyl-1-piperazinyl)methyl]-benzenamine4-(4-Methylpiperazin-1-ylmethyl)phenylamine95%
4-[(4-methylpiperazinyl)methyl]phenylamine4-(4-methyl-piperazin-1-ylmethyl)-anilineBAS 063483451-(4-Aminobenzyl)-4-methylpiperazine; 4-[(4-Methyl-1-piperazinyl)methyl]benzenamine; 4-[(4-Methyl-1-piperazinyl)methyl]benzeneamine; 4-[(4-Methylpiperazin-1-yl)methyl]anilineSCHEMBL55983benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-MLS000718555CHEMBL1529116
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 179
Physicochemical properties
- Melting point
- 97 · 97-99oC
- Boiling point
- 331.2 · 331.2±27.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 7.65 · 7.65±0.10(Predicted)
- form
- Solid
- color
- Yellow
- FDA UNII
- 6 MC966B505 · 6MC966B505
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 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 (66.7%)
Safety data
- hs_code
- 2922390090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Applications
Uses4-(4-Methylpiperazin-1-ylmethyl)phenylamine is an intermediate used to prepare aminopyridopyrimidinones as tyrosine kinase inhibitors and anticancer agents. It is also used in the synthesis of piperazinyltrifluoromethylphenylquinolinylbenzonaphthyridinone derivatives with anticancer activities.
Upstream & downstream products
Upstream raw materials
Suppliers85 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
74 records
Compound notes
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