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2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride

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2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride

EINECS 424-560-4
CAS No. 151257-01-1 Density
Solubility Melting Point
Formula C11H18N2O.HCl Boiling Point 328.6 °C at 760 mmHg
Molecular Weight 230.73 Flash Point 152.6 °C
Transport Information Appearance white or pale white crystal powder
Safety Risk Codes
Molecular Structure Molecular Structure of 151257-01-1 (1,3-Diazaspiro[4.4]non-1-en-4-one,2-butyl-, hydrochloride (1:1)) Hazard Symbols
Synonyms

1,3-Diazaspiro[4.4]non-1-en-4-one,2-butyl-, monohydrochloride (9CI);2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-onehydrochloride;2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride;

 

2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride Specification

The systematic name of 2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloride is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one hydrochloride (1:1). With the CAS registry number 151257-01-1, it is also named as 1,3-diazaspiro[4.4]non-1-en-4-one, 2-butyl-, hydrochloride (1:1). The product's categories are intermediates of Irbesartan. It is white or pale white crystal powder which is used as intermediates of drug irbesartan in the treatment of hypertension.

The other characteristics of 2-Butyl-4-spirocyclopentane-2-imidazolin-5-one hydrochloridecan be summarized as:
 (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 300; (8)ACD/KOC (pH 7.4): 302; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.67 ?2; (13)Flash Point: 152.6 °C; (14)Enthalpy of Vaporization: 58.24 kJ/mol; (15)Boiling Point: 328.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000135 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C1N\C(=N/C12CCCC2)CCCC
2. InChI:InChI=1/C11H18N2O.ClH/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;/h2-8H2,1H3,(H,12,13,14);1H 
3. InChIKey:WWRHZLCKSVQRBG-UHFFFAOYAM

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