Basic information
- CAS
314268-40-1- Standard SMILES
COC(=O)c1ccc(CN2CCN(C)CC2)cc1- InChIKey
MEYCYFIWDAQKQK-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247788
Names & identifiers
- Preferred name
- Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate
- IUPAC
- methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
- English name
- Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
314268-40-1Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoatemethyl 4-((4-methylpiperazin-1-yl)methyl)benzoateDTXSID00354797RefChem:1089433DTXCID70305857Methyl 4-(4-Methylpiperazinomethyl)benzoateImatinib Impurity 62MFCD01467150Benzoic acid, 4-[(4-methyl-1-piperazinyl)methyl]-, methyl estermethyl 4-[(4-methyl-1-piperazinyl)methyl]benzoate1-methyl-4-(4-methoxycarbonylbenzyl)piperazine
Show more names
4-((4-methylpiperazin-1-yl)methyl)benzoateMethyl 4-(4-Methylpiperazinomethyl)benzoate HCLMethyl 4-(4-Methylpiperazinomethyl)benzoate2HClMethyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate 97%4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester
Oprea1_243339SCHEMBL64588MASIT-008MEYCYFIWDAQKQK-UHFFFAOYSA-NSBB100451AKOS005872810SB17884AC-23881
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Boiling point
- 351.9 · 351.9±32.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 7.55 · 7.55±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Hazard Note
- Corrosive
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers66 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Related reactions
42 records
Compound notes
Loading…