N,N-Dimethylsuccinamic acid
Basic information
- CAS
2564-95-6- Standard SMILES
CN(C)C(=O)CCC(=O)O- InChIKey
WAIGPJMZARQZDX-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Overview
structure in first source
Names & identifiers
- Preferred name
- N,N-Dimethylsuccinamic acid
- IUPAC
- 4-(dimethylamino)-4-oxobutanoic acid
- English name
- N,N-DIMETHYLSUCCINAMIC ACID
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
2564-95-6N,N-Dimethylsuccinamic acid4-(Dimethylamino)-4-oxobutanoic acidButanoic acid, 4-(dimethylamino)-4-oxo-N,N-Dimethylsuccinic acid monoamideSuccinamic acid, N,N-dimethyl-19QG006ARNNSC-46778DTXSID3062524RefChem:161324DTXCID2037346803-713-2
Show more names
TIMTEC-BB SBB008073Lactic Acid Impurity 684-(Dimethylamino)-4-oxobutyric acidN,N-DIMETHYLSUCCINAMIC ACID, 1GM, NEAT
3-(Dimethylcarbamoyl)Propanoic AcidNN-Dimethylsuccinamic acidMFCD00043505n,n-dimethylsuccinamidic acidNSC 46778butanedioic acid mono(n,n-dimethylamide)N-dimethyl-succinamic acidSuccinamic acid,N-dimethyl-
Database identifiers
- CAS
2564-95-6- PubChem CID
- 75717
- DTXSID
DTXSID3062524- UNII
- 19QG006ARN
- EC Number
- 803-713-2
- Nikkaji
- J308.131A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 82 · 82-83°C
- Boiling point
- 297.5 · 297.5±23.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.94 · 4.94±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Water Solubility
- Slightly soluble in water.
- BRN
- 1762788 · 1762788
- CAS DataBase Reference
- 2564 · 2564-95-6(CAS DataBase Reference)
- FDA UNII
- 19 QG006ARN · 19QG006ARN
- EPA Substance Registry System
- 4 · Butanoic acid, 4-(dimethylamino)-4-oxo- (2564-95-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 336 · H336-H315-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.9% (2 of 70) of reports.
Warning
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanoic acid, 4-(dimethylamino)-4-oxo-
REACH registered substance: 4-(dimethylamino)-4-oxobutanoic acid (EC: 803-713-2)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Hazard statements
- H336-H315-H319
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 4-(dimethylamino)-4-oxo-: INACTIVE
Applications
UsesIt is employed as a intermediate for pharmaceutical.
Suppliers
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Related reactions
10 records
Compound notes
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