CAS 1123-40-6 4,4-Dimethylpiperidine-2,6-dione (HCID 14292)

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Basic information

CAS: 1123-40-6
Standard SMILES: CC1(C)CC(=O)NC(=O)C1
InChIKey: YUJCWMGBRDBPDL-UHFFFAOYSA-N
Molecular formula: C7H11NO2
Average molar mass: 141.17 g/mol
Monoisotopic mass: 141.07897859

Overview

structure in first source

Names & identifiers

Preferred name: 4,4-Dimethylpiperidine-2,6-dione
IUPAC: 4,4-dimethylpiperidine-2,6-dione
English name: 3,3-Dimethylglutarimide
Molecular formula: C7H11NO2
Molecular weight: 141.17

Names & synonyms

4,4-Dimethylpiperidine-2,6-dioneRefChem:4855853,3-Dimethylglutarimide1123-40-62,6-Piperidinedione, 4,4-dimethyl-4,4-Dimethyl-2,6-piperidinedioneGLUTARIMIDE, 3,3-DIMETHYL-beta,beta-DimethylglutarimideMFCD00006671NSC 581944,6-piperidinedioneBRN 0111981

Show more names

GEPI-0043,3-dimethyl-glutarimid3,3-Dimethylglutarimide >3,3-Dimethylglutarimide,99%BETA-BETA-DIMETHYL GLUTARIMIDE4,4-Dimethyl-2,6-dioxopiperidine

.beta.,.beta.-Dimethylglutarimide2, 4,4-dimethyl-4,4-dimethyl-piperidine-2,6-dione5S2HK9A9UMNCIOpen2_002161CHEMBL5561250NSC-58194NSC-99206

Database identifiers

CAS: 1123-40-6
PubChem CID: 14292
DTXSID: DTXSID7074454
ChEMBL: CHEMBL5561250
UNII: 5S2HK9A9UM

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 144 · 144-146 °C (lit.)
Boiling point: 258.21 °C · 258.21°C (rough estimate)
Density: 1.1522 · 1.1522 (rough estimate)
refractive index: 1.5026 · 1.5026 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 11.81 · 11.81±0.40(Predicted)
color: White to Almost white
Water Solubility: Soluble in water.
BRN: 111981 · 111981
InChI: InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKey: YUJCWMGBRDBPDL-UHFFFAOYSA-N
SMILES: N1C(=O)CC(C)(C)CC1=O
CAS DataBase Reference: 1123 · 1123-40-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
rtecs: MA4348000
ridadr: 2811
hs_code: 29251995
risk_code: 22-36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36/37-22
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3