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Basic Information
CAS No.: 351426-90-9
Name: 1H-Pyrrole-1-ethanol,2-methyl-5-(1-methylethyl)-(9CI)
Molecular Structure:
Molecular Structure of 351426-90-9 (1H-Pyrrole-1-ethanol,2-methyl-5-(1-methylethyl)-(9CI))
Formula: C10H17NO
Molecular Weight: 167.2481
Synonyms: 1H-Pyrrole-1-ethanol,2-methyl-5-(1-methylethyl)-(9CI)
Density: 0.981 g/cm3
Boiling Point: 261.909 °C at 760 mmHg
Flash Point: 112.199 °C
PSA: 25.16000
LogP: 1.91220
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Specification

The 1H-Pyrrole-1-ethanol,2-methyl-5-(1-methylethyl)-, with the CAS registry number 351426-90-9, belongs to the product category of Isopropyl. This chemical's molecular formula is C10H17NO and molecular weight is 167.2481. What's more, its systematic name is also called 3-Methyl-2-(2-methyl-1H-pyrrol-1-yl)butan-1-ol.

Physical properties about 1H-Pyrrole-1-ethanol,2-methyl-5-(1-methylethyl)- are: (1)ACD/LogP: 0.93; (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): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 337; (8)ACD/KOC (pH 7.4): 337; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.16 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 50.332 cm3; (15)Molar Volume: 170.411 cm3; (16)Polarizability: 19.953×10-24 cm3; (17)Surface Tension: 31.241 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 112.199 °C; (20)Enthalpy of Vaporization: 52.789 kJ/mol; (21)Boiling Point: 261.909 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccn1C(CO)C(C)C
(2) InChI: InChI=1/C10H17NO/c1-8(2)10(7-12)11-6-4-5-9(11)3/h4-6,8,10,12H,7H2,1-3H3
(3) InChIKey: SHTPEGFDRBIIFW-UHFFFAOYAH