2-Azaspiro[4.5]decan-1-one supplier

Name
3,3-PENTAMETHYLENE-2-PYRROLIDINONE
EINECS 214-459-1
CAS No. 1005-85-2
Article Data5
CAS DataBase
Density 1.055 g/cm³
Solubility
Melting Point 110 °C
Formula C₉H₁₅NO
Boiling Point 330.144 °C at 760 mmHg
Molecular Weight 153.224
Flash Point 192.25 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Pentamethylene-2-pyrrolidinone;
PSA 29.10000
LogP 1.78560

2-Azaspiro[4.5]decan-1-one Specification

The 2-Azaspiro[4.5]decan-1-one, with the CAS registry number 1005-85-2, is also known as 3,3-Pentamethylene-2-pyrrolidinone. Its EINECS registry number is 214-459-1. This chemical's molecular formula is C₉H₁₅NO and molecular weight is 153.22. What's more, its systematic name is the same with its product name.

Physical properties about 2-Azaspiro[4.5]decan-1-one are: (1)ACD/LogP: 0.624 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1.76; (7)ACD/KOC (pH 5.5): 52.07; (8)ACD/KOC (pH 7.4): 52.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 43.406 cm³; (15)Molar Volume: 145.263 cm³; (16)Polarizability: 17.207×10^-24cm³; (17)Surface Tension: 38.199 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 192.25 °C; (20)Enthalpy of Vaporization: 57.269 kJ/mol; (21)Boiling Point: 330.144 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC2(CC1)CCNC2=O
(2) InChI: InChI=1S/C9H15NO/c11-8-9(6-7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
(3) InChIKey: UYZFAPXBVNFJFD-UHFFFAOYSA-N

Product Name

3,3-PENTAMETHYLENE-2-PYRROLIDINONE

2-Azaspiro[4.5]decan-1-one Specification

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