N,N-Dimethylindoline-5-sulfonamide supplier

Name
N,N-Dimethylindoline-5-sulfonamide
EINECS
CAS No. 99169-99-0
Article Data3
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 109-111 °C
Formula C₁₀H₁₄N₂O₂S
Boiling Point 389.8 °C at 760 mmHg
Molecular Weight 226.299
Flash Point 189.5 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms N,N-dimethyl-2,3-dihydro-1H-indole-5-sulfonamide;
PSA 57.79000
LogP 2.12370

N,N-Dimethylindoline-5-sulfonamide 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

Product Name

N,N-Dimethylindoline-5-sulfonamide

N,N-Dimethylindoline-5-sulfonamide Specification

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