CAS No.1130-32-1,3,3-Pentamethylene glutarimide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1130-32-1
Name:	3,3-Pentamethylene glutarimide
Article Data:	12

Formula:	C₁₀H₁₅NO₂
Molecular Weight:	181.235
Synonyms:	1,1-Cyclohexanediacetimide(6CI,7CI,8CI);2,4-Dioxo-3-azaspiro[5.5]undecane;NSC 400093;3,3-Pentamethylene glutarimide;3,3-Pentamethyleneglutarimide;1,1-Cyclohexane diacetimide;beta,beta-Pentamethylen-glutarsaeureimid;
EINECS:	214-459-1
Density:	1.14 g/cm³
Melting Point:	84-89 °C
Boiling Point:	362.3 °C at 760 mmHg
Flash Point:	161.2 °C
Appearance:	white crystalline powder
Safety:	22-24/25
PSA:	46.17000
LogP:	1.70230

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Specification

The IUPAC name of 3,3-Pentamethylene glutarimide is 9-azaspiro[5.5]undecane-8,10-dione. With the CAS registry number 1130-32-1, it is also named as 1,1-Cyclohexane diacetimide. The product's categories are Intermediate Sofgabapentin; (Intermediate of Gabapentin). Besides, it is white crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C₁₀H₁₅NO₂ and molecular weight is 181.24.

The other characteristics of 3,3-Pentamethylene glutarimide can be summarized as: (1)EINECS: 214-459-1; (2)ACD/LogP: 2.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.04; (5)ACD/LogD (pH 7.4): 2.04; (6)ACD/BCF (pH 5.5): 20.84; (7)ACD/BCF (pH 7.4): 20.84; (8)ACD/KOC (pH 5.5): 305.99; (9)ACD/KOC (pH 7.4): 305.98; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 0; (13)Polar Surface Area: 37.38 Å²; (14)Index of Refraction: 1.518; (15)Molar Refractivity: 48.15 cm³; (16)Molar Volume: 158.8 cm³; (17)Polarizability: 19.08×10^-24cm³; (18)Surface Tension: 42.8 dyne/cm; (19)Density: 1.14 g/cm³; (20)Flash Point: 161.2 °C; (21)Melting Point: 84-89 °C; (22)Enthalpy of Vaporization: 60.82 kJ/mol; (23)Boiling Point: 362.3 °C at 760 mmHg; (24)Vapour Pressure: 1.96E-05 mmHg at 25 °C.

Uses of 3,3-Pentamethylene glutarimide: it can react with 6-methyl-8-quinolin-2-yl-8-aza-5-azonia-spiro[4.5]decane; bromide to get 3-[4-(2-methyl-4-quinolin-2-yl-piperazin-1-yl)-butyl]-3-aza-spiro[5.5]undecane-2,4-dione.

This reaction needs K₂CO₃, 18-crown-6 and xylene by heating for 6 hours. The yield is 50 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CCC2(CC1)CC(=O)NC(=O)C2
(2)InChI: InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)
(3)InChIKey: FNIPRNMPSXNBDI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	17200ug/kg (17.2mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Farmakologiya i Toksikologiya Vol. 27, Pg. 278, 1964.
rat	LD50	intravenous	10mg/kg (10mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 243, 1960.