2-Ethyl-2-methylsuccinic acid

HCID 97776CAS 631-31-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C)(CC(=O)O)C(=O)O
InChIKey
FDYJJKHDNNVUDR-UHFFFAOYSA-N
Molecular formula
C7H12O4
Average molar mass
160.17 g/mol
Monoisotopic mass
160.07355886

Names & identifiers

Preferred name
2-Ethyl-2-methylsuccinic acid
IUPAC
2-ethyl-2-methylbutanedioic acid
English name
1-ETHYL-1-METHYLSUCCINIC ACID
Molecular formula
C7H12O4
Molecular weight
160.17

Names & synonyms

2-Ethyl-2-methylsuccinic acid631-31-21IN25EXW9T(2RS)-2-Ethyl-2-methylbutanedioic AcidEINECS 211-154-5NSC-38752Butanedioic acid, 2-ethyl-2-methyl-UNII-1IN25EXW9T.alpha.-Ethyl-.alpha.-methyl succinic acidNSC 38752ETHOSUXIMIDE IMPURITY A [EP IMPURITY]ETHOSUXIMIDE IMPURITY A (EP IMPURITY)
Show more names
SALOR-INT L308722-1EAbis(2-methylpropyl)-oxotin2-Methyl-2-ethylsuccinic acidA-ETHYL-A-METHYL SUCCINIC ACIDEthosuximide Related Compound A
RefChem:86875alpha-Ethyl-alpha-methyl succinic acid211-154-5FDYJJKHDNNVUDR-UHFFFAOYSA-N2-ethyl-2-methylbutanedioic acid1-ETHYL-1-METHYLSUCCINIC ACIDEthosuximide EP Impurity AMFCD00004201

Database identifiers

CAS
631-31-2
PubChem CID
97776
DTXSID
DTXSID201031616
UNII
1IN25EXW9T
EC Number
211-154-5
Nikkaji
J135.606B

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Melting point
64.6 · 64.6-65.4 °C
Boiling point
257.8 · 257.8±13.0 °C(Predicted)
Density
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
3.83 · 3.83±0.15(Predicted)

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Chemistry & industry

Applications

Uses2-Ethyl-2-methylsuccinic Acid is an inhibitor of plasmid-borne IMP-1 metallo-β-lactamase.

Upstream & downstream products

Upstream raw materials

Downstream products

Suppliers37 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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