CAS 1130-32-1 3-Azaspiro(5.5)undecane-2,4-dione (HCID 14324)

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Basic information

CAS: 1130-32-1
Standard SMILES: O=C1CC2(CCCCC2)CC(=O)N1
InChIKey: FNIPRNMPSXNBDI-UHFFFAOYSA-N
Molecular formula: C10H15NO2
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.11027872

Names & identifiers

Preferred name: 3-Azaspiro(5.5)undecane-2,4-dione
IUPAC: 3-azaspiro[5.5]undecane-2,4-dione
English name: 3,3-Pentamethylene glutarimide
Molecular formula: C10H15NO2
Molecular weight: 181.23

Names & synonyms

3-Azaspiro[5.5]undecane-2,4-dione1,1-Cyclohexanediacetimide3-Azaspiro(5.5)undecane-2,4-dione3-AZASPIRO(5,5)UNDECAN-2,4-DIONENSC 400093UNII-WKI07GM35FEINECS 214-459-1WKI07GM35FBRN 0383782DTXSID90150260beta,beta-Pentamethylen-glutarsaeureimid [German]NSC-400093

Show more names

3,3-PentamethyleneGabapentin Impurity 13GABAPENTIN INTERMEDIATES3-AZASPIRO[4.5]DECAN-2-ONE1,1-Cyclohexane diacetimide3-PentaMethylene glutariMide3,3-Pentamethyleneglutarimide3,3-Pentamethylene glutarimide

5-21-10-00098 (Beilstein Handbook Reference)beta,beta-Pentamethylen-glutarsaeureimid3,3-CYCLOPENTANE GLUTARIMIDE2,4-Dioxo-3-azaspiro[5.5]undecane2,4-DIOXO-3-AZASPIRO(5.5)UNDECANERefChem:93019DTXCID70727511,1-Cyclohexanediacetimide (8CI)

Database identifiers

CAS: 1130-32-1
PubChem CID: 14324
DTXSID: DTXSID90150260
ChEMBL: CHEMBL2041533
UNII: WKI07GM35F
EC Number: 214-459-1
Nikkaji: J84.625B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 84 · 84-89 °C(lit.)
Boiling point: 362.3 · 362.3±11.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 11.71 · 11.71±0.20(Predicted)
color: White to Off-White
CAS DataBase Reference: 1130 · 1130-32-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 GM35F · WKI07GM35F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.