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| CAS No.: | 99169-99-0 |
|---|---|
| Name: | N,N-Dimethylindoline-5-sulfonamide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H14N2O2S |
| Molecular Weight: | 226.299 |
| Synonyms: | N,N-dimethyl-2,3-dihydro-1H-indole-5-sulfonamide; |
| Density: | 1.256 g/cm3 |
| Melting Point: | 109-111 °C |
| Boiling Point: | 389.8 °C at 760 mmHg |
| Flash Point: | 189.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 57.79000 |
| LogP: | 2.12370 |
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- Total:20 Page 1 of 1 1
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Specification
The N,N-Dimethylindoline-5-sulfonamide, with its CAS registry number 99169-99-0, has the systematic name of N,N-dimethyl-2,3-dihydro-1H-indole-5-sulfonamide. And it has the molecular formula of C10H14N2O2S and the molecular weight of 226.3. Besides, it is irritant which may cause inflammation to the skin or other mucous membranes.
The characteristics of N,N-Dimethylindoline-5-sulfonamide are as follows: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 7.58; (7)ACD/KOC (pH 5.5): 148.3; (8)ACD/KOC (pH 7.4): 148.33; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.575 ; (14)Molar Refractivity: 59.56 cm3; (15)Molar Volume: 180 cm3; (16)Polarizability: 23.61×10-24cm3; (17)Surface Tension: 44.4 ; (18)Density: 1.256 g/cm3; (19)Flash Point: 189.5 °C; (20)Enthalpy of Vaporization: 63.92 kJ/mol; (21)Boiling Point: 389.8 °C at 760 mmHg ; (22)Vapour Pressure: 2.78E-06 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=S(=O)(c1cc2c(cc1)NCC2)N(C)C
(2)InChI:InChI=1/C10H14N2O2S/c1-12(2)15(13,14)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,5-6H2,1-2H3
(3)InChIKey:RTBHIQIVIFMZDZ-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C10H14N2O2S/c1-12(2)15(13,14)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,5-6H2,1-2H3
(5)Std. InChIKey:RTBHIQIVIFMZDZ-UHFFFAOYSA-N