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Ethyl 4-methylpiperazine-1-carboxylate

HCID 68286
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
59325-11-0
Standard SMILES
CCOC(=O)N1CCN(C)CC1
InChIKey
USYYUUDWGLOMDJ-UHFFFAOYSA-N
Molecular formula
C8H16N2O2
Average molar mass
172.22 g/mol
Monoisotopic mass
172.12117776

Names & identifiers

Preferred name
Ethyl 4-methylpiperazine-1-carboxylate
IUPAC
ethyl 4-methylpiperazine-1-carboxylate
English name
1-Piperazinecarboxylicacid,4-methyl-,ethylester(6CI,9CI)
Molecular formula
C8H16N2O2
Molecular weight
172.22

Names & synonyms

ethyl 4-methylpiperazine-1-carboxylate59325-11-0DTXSID70275703RefChem:344061DTXCID50203726MFCD000307901-Piperazinecarboxylicacid,4-methyl-,ethylester(6CI,9CI)1-Piperazinecarboxylic acid, 4-methyl-, ethyl esterethyl 4-methyl-1-piperazinecarboxylateZopiclone Impurity 47BD8L49ZC9ESCHEMBL847825
Show more names
Zopiclone Impurity 164-methyl-1-Piperazinecarboxylic acid ethyl ester
SCHEMBL2652245SCHEMBL105315851-carboethoxy-4-methylpiperazineAC8202AKOS003873404piperazine, 1-ethoxycarbonyl-4-methyl-AS-94074SY262998

Database identifiers

CAS
59325-11-0
PubChem CID
68286
DTXSID
DTXSID70275703
UNII
BD8L49ZC9E
Nikkaji
J659.322D

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
153

Physicochemical properties

Boiling point
97 · 97-98 °C(Press: 8 Torr)
Density
1.058 · 1.058±0.06 g/cm3(Predicted)
pka
6.91 · 6.91±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers16 total

济南百隆化学有限公司[email protected] · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]