1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid supplier

Name
1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid
EINECS
CAS No. 887352-25-2
Density 1.103 g/cm³
Solubility
Melting Point >250°C (subl.)
Formula C₁₁H₁₇NO₃
Boiling Point 354.8 °C at 760 mmHg
Molecular Weight 211.26
Flash Point 168.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Acetyl-2, 2, 5, 5-tetramethyl-2, 5-dihydro-1H-pyrrole-3-carboxylic acid;
PSA 57.61000
LogP 1.35460

1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid Specification

The 1-Acetyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-carboxylic acid, with the CAS registry number 887352-25-2, belongs to the product category of Spin Labeling Compounds. This chemical's molecular formula is C₁₁H₁₇NO₃ and molecular weight is 211.26. What's more, its systematic name is 1-Acetyl-2, 2, 5, 5-tetramethyl-2, 5-dihydro-1H-pyrrole-3-carboxylic acid.

Physical properties about 1-Acetyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-carboxylic acid are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 55.56 cm³; (15)Molar Volume: 191.3 cm³; (16)Polarizability: 22.02×10^-24 cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.103 g/cm³; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 65.91 kJ/mol; (21)Boiling Point: 354.8 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1C(/C=C(/C(=O)O)C1(C)C)(C)C)C
(2) InChI: InChI=1/C11H17NO3/c1-7(13)12-10(2,3)6-8(9(14)15)11(12,4)5/h6H,1-5H3,(H,14,15)
(3) InChIKey: MGZCMUMKDRAYPZ-UHFFFAOYAQ

Product Name

1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid

1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid Specification

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