Products Categories
CAS No.: | 65673-86-1 |
---|---|
Name: | 7-METHYL-2,3-DIHYDRO-1H-INDOLE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C9H11N |
Molecular Weight: | 133.193 |
Synonyms: | 7-Methylindoline; |
Density: | 1.018 g/cm3 |
Boiling Point: | 233.278 °C at 760 mmHg |
Flash Point: | 98.394 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 12.03000 |
LogP: | 2.10100 |
What can I do for you?
Get Best Price
The systematic name of 7-Methylindoline is 7-methyl-2,3-dihydro-1H-indole. With the CAS registry number 65673-86-1, it is also named as 1H-Indole,2,3-dihydro-7-methyl-. The product's category is Indoline & Oxindole. In addition, its molecular formula is C9H11N and its molecular weight is 133.19.
The other characteristics of 7-Methylindoline can be summarized as: (1)ACD/LogP: 2.15; (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): 15; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 221; (8)ACD/KOC (pH 7.4): 323; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 41.988 cm3; (15)Molar Volume: 130.833 cm3; (16)Polarizability: 16.646×10-24cm3; (17)Surface Tension: 37.571 dyne/cm; (18)Density: 1.018 g/cm3; (19)Flash Point: 98.394 °C; (20)Enthalpy of Vaporization: 46.999 kJ/mol; (21)Boiling Point: 233.278 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cccc2CCNc12
(2)InChI: InChI=1/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
(3)InChIKey: WHPDSANSNOUOLZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
(5)Std. InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N