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Ethanol,2-[(3-methylphenyl)amino]-

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Name

Ethanol,2-[(3-methylphenyl)amino]-

EINECS 203-029-9
CAS No. 102-41-0 Density 1.086 g/cm3
PSA 32.26000 LogP 1.47220
Solubility N/A Melting Point N/A
Formula C9H13NO Boiling Point 302.5 °C at 760 mmHg
Molecular Weight 151.208 Flash Point 146.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 102-41-0 (N-2-HYDROXYETHYL-M-TOLUIDINE) Hazard Symbols N/A
Synonyms

Ethanol,2-m-toluidino- (6CI,7CI,8CI);2-[(3-Methylphenyl)amino]ethanol;2-m-Toluidinoethanol;2-m-Tolylaminoethanol;N-(2-Hydroxyethyl)-3-methylaniline;N-(2-Hydroxyethyl)-m-toluidine;N-(3-Methylphenyl)ethanolamine;N-(b-Hydroxyethyl)-m-toluidine;N-3-Tolylethanolamine;N-Monohydroxyethyl-m-toluidine;N-b-Hydroxyethyl-3-methylaniline;NSC 2153;m-Tolylethanolamine;

Article Data 15

Ethanol,2-[(3-methylphenyl)amino]- Specification

The IUPAC name of Ethanol,2-[(3-methylphenyl)amino]- is 2-(3-methylanilino)ethanol. With the CAS registry number 102-41-0, it is also named as 2-m-Toluidinoethanol. In addition, its molecular formula is C9H13NO and its molecular weight is 151.20562.

The other characteristics of Ethanol,2-[(3-methylphenyl)amino]- can be summarized as: (1)EINECS: 203-029-9; (2)ACD/LogP: 1.28; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.23; (5)ACD/LogD (pH 7.4): 1.28; (6)ACD/BCF (pH 5.5): 4.91; (7)ACD/BCF (pH 7.4): 5.52; (8)ACD/KOC (pH 5.5): 105.11; (9)ACD/KOC (pH 7.4): 118.21; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 12.47 Å2; (14)Index of Refraction: 1.588; (15)Molar Refractivity: 46.85 cm3; (16)Molar Volume: 139.1 cm3; (17)Polarizability: 18.57×10-24cm3; (18)Surface Tension: 44.9 dyne/cm; (19)Density: 1.086 g/cm3; (20)Flash Point: 146.6 °C; (21)Enthalpy of Vaporization: 57.31 kJ/mol; (22)Boiling Point: 302.5 °C at 760 mmHg; (23)Vapour Pressure: 0.000434 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OCCNc1cc(ccc1)C
(2)InChI: InChI=1/C9H13NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3
(3)InChIKey: GZCPEUOCUUNCLZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3
(5)Std. InChIKey: GZCPEUOCUUNCLZ-UHFFFAOYSA-N

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