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Carbonic acid, bis[2-(dimethylamino)ethyl] ester

HCID 76417
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3030-45-3
Standard SMILES
CN(C)CCOC(=O)OCCN(C)C
InChIKey
VRJRVIUWJWYDMT-UHFFFAOYSA-N
Molecular formula
C9H20N2O3
Average molar mass
204.27 g/mol
Monoisotopic mass
204.1473925

Names & identifiers

Preferred name
Carbonic acid, bis[2-(dimethylamino)ethyl] ester
IUPAC
bis[2-(dimethylamino)ethyl] carbonate

Names & synonyms

Bis(2-(dimethylamino)ethyl) carbonatebis[2-(dimethylamino)ethyl] carbonateCarbonic acid, bis[2-(dimethylamino)ethyl] esterDTXSID1073313Carbonic acid, bis(2-(dimethylamino)ethyl) esterRefChem:333367DTXCID10381673030-45-3Bis(dimethylaminoethyl)carbonateSCHEMBL3036708Bis(2-(dimethylamino)ethyl)carbonatebis[2-(N,N-dimethylamino)ethyl]carbonate
Show more names
bis[2-(N,N-dimethylamino)ethyl] carbonatebis[2-(N,N-dimethylamino)ethyl]-carbonate

Database identifiers

CAS
3030-45-3
PubChem CID
76417
DTXSID
DTXSID1073313
Nikkaji
J1.162.769B

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
42 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
144

Safety & regulation

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

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbonic acid, bis[2-(dimethylamino)ethyl] ester: INACTIVE

Related reactions

10 records
New reaction record
HRID 249419 reaction equation
HRID 249419As productuspto-grants-1993_05
HRID 249420 reaction equation
HRID 249420As reactantuspto-grants-1993_05
HRID 864665 reaction equation
HRID 864665As productuspto-grants-1996_10
HRID 864667 reaction equation
HRID 864667As productuspto-grants-1996_10
HRID 864669 reaction equation
HRID 864669As productuspto-grants-1996_10
HRID 864671 reaction equation
HRID 864671As productuspto-grants-1996_10
HRID 864672 reaction equation
HRID 864672As productuspto-grants-1996_10
HRID 960550 reaction equation
HRID 960550As productValidation data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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