3-Indolepropionic acid
Catalog No: FT-0627221
CAS No: 830-96-6
- Molecular Formula: 189.21
- Formula Weight: C11H11NO2
- Inchl Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Melting_Point: | 134-135 °C(lit.) |
---|---|
CAS: | 830-96-6 |
MF: | C11H11NO2 |
Flash_Point: | 206.4±21.8 °C |
Product_Name: | 3-Indolepropionic acid |
Density: | 1.3±0.1 g/cm3 |
FW: | 189.210 |
Bolling_Point: | 417.6±20.0 °C at 760 mmHg |
Refractive_Index: | 1.667 |
---|---|
Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
Flash_Point: | 206.4±21.8 °C |
LogP: | 1.76 |
Bolling_Point: | 417.6±20.0 °C at 760 mmHg |
Water_Solubility: | slightly soluble |
PSA: | 53.09000 |
Molecular_Structure: | ['1. Molar refractive index 5427 ', '2. Molar volume (m3/mol)1458 ', '3. Parachor (902K)4088 ', '4. Surface tension 618 ', '5. Polarizability 2151'] |
Vapor_Density: | 2.1 (vs air) |
Computational_Chemistry: | ['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 531 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 217 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
Melting_Point: | 134-135 °C(lit.) |
MF: | C11H11NO2 |
Exact_Mass: | 189.078979 |
FW: | 189.210 |
Density: | 1.3±0.1 g/cm3 |
More_Info: | ['1 . Appearance White 片状结晶 ', '2 . Density(g/mL,20/4℃)0960g/mL ', '3 . Relative vapor density(g/mL,Atmosphere =1)21 ', '4 . Melting point(ºC)134°C ', '5 . Boiling point(ºC,Atmospheric pressure)82°C ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexn 20/D 1377 ', '8 . Flash point(ºF)53°F ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(20ºC)33 mm Hg ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 易Soluble in Ethanol Ethyl ether 丙酮苯氯仿and 乙酸乙酯,Soluble in 热Water ,难Soluble in 冷Water 。露置Atmosphere 中逐渐变色。'] |
Risk_Statements(EU): | R22;R36/37/38 |
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WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
RTECS: | NT8050000 |
RIDADR: | UN 1987 3/PG 3 |
Hazard_Codes: | Xi:Irritant; |
HS_Code: | 29339990 |
Safety_Statements: | S7-S16-S24/25-S26-S36/37-S37/39-S22 |
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