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499771-22-1

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Basic Information
CAS No.: 499771-22-1
Name: 2-METHYL-2-(1H-PYRROL-1-YL)PROPAN-1-OL
Molecular Structure:
Molecular Structure of 499771-22-1 (2-METHYL-2-(1H-PYRROL-1-YL)PROPAN-1-OL)
Formula: C8H13NO
Molecular Weight: 139.1949
Synonyms: 2-Methyl-2-(1H-pyrrol-1-yl)propan-1-ol;
Density: 0.96 g/cm3
Boiling Point: 223.5 °C at 760 mmHg
Flash Point: 89 °C
PSA: 25.16000
LogP: 1.21550
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Specification

The 1H-Pyrrole-1-ethanol, b,b-dimethyl-, with the CAS registry number 499771-22-1, belongs to the product category of Aminetertiary. This chemical's molecular formula is C8H13NO and molecular weight is 139.1949. What's more, its systematic name is called 2-Methyl-2-(1H-pyrrol-1-yl)propan-1-ol.

Physical properties about 1H-Pyrrole-1-ethanol, b,b-dimethyl- are: (1)ACD/LogP: 1.13; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.22; (6)ACD/BCF (pH 7.4): 4.22; (7)ACD/KOC (pH 5.5): 97.57; (8)ACD/KOC (pH 7.4): 97.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 41.83 cm3; (15)Molar Volume: 144.3 cm3; (16)Polarizability: 16.58×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 89 °C; (20)Enthalpy of Vaporization: 48.62 kJ/mol; (21)Boiling Point: 223.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0548 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(n1cccc1)(C)C
(2) InChI: InChI=1/C8H13NO/c1-8(2,7-10)9-5-3-4-6-9/h3-6,10H,7H2,1-2H3
(3) InChIKey: LPIKPFDHQPUHMF-UHFFFAOYAW