Basic information
- CAS
354813-14-2- Standard SMILES
COC(=O)c1ccc(N2CCN(C)CC2)cc1- InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- Methyl 4-(4-methylpiperazin-1-yl)benzoate
- IUPAC
- methyl 4-(4-methylpiperazin-1-yl)benzoate
- English name
- METHYL 4-(4-METHYLPIPERAZIN-1-YL)BENZOATE
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
354813-14-2Methyl 4-(4-methylpiperazin-1-yl)benzoateMethyl 4-(4-methylpiperazino)benzoateMFCD000669024-(4-Methyl-piperazin-1-yl)-benzoic acid methyl esterMethyl 4-(4-methylpiperazino)benzenecarboxylateOprea1_143828SCHEMBL65696DTXSID30363014LXCXOZWVDWCOCC-UHFFFAOYSA-NSBB098272AKOS005073463
Show more names
1-[4-(Methoxycarbonyl)phenyl]-4-methylpiperazineBenzoic acid, 4-(4-Methyl-1-piperazinyl)-, Methyl ester
MA-0726methyl 4-(4-methylpiperazinyl)benzoateDB-030970CS-0213498F237032
Database identifiers
- CAS
354813-14-2- PubChem CID
- 1472668
- DTXSID
DTXSID30363014
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 122 · 122-124°
- Boiling point
- 362.4 · 362.4±37.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 7.62 · 7.62±0.42(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers21 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海佰安麦材料科技有限公司13656718387 · [email protected]
Related reactions
11 records
Compound notes
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