Basic Information | Post buying leads | Suppliers |
Name |
5-Benzyloxy-3-(1-methyl-2-pyrrolidinyl)indole |
EINECS | N/A |
CAS No. | 14226-68-7 | Density | 1.173g/cm3 |
PSA | 28.26000 | LogP | 4.45150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H22 N2 O | Boiling Point | 487.9°C at 760 mmHg |
Molecular Weight | 306.407 | Flash Point | 248.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indole,5-(benzyloxy)-3-(1-methyl-2-pyrrolidinyl)- (7CI,8CI) |
Molecule structure of 5-Benzyloxy-3-(1-methyl-2-pyrrolidinyl)indole (CAS NO.14226-68-7):
IUPAC Name: 3-(1-Methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole
Molecular Weight: 306.40148 g/mol
Molecular Formula: C20H22N2O
Density: 1.173 g/cm3
Boiling Point: 487.9 °C at 760 mmHg |
Flash Point: 248.8 °C
Index of Refraction: 1.644
Molar Refractivity: 94.6 cm3
Molar Volume: 261 cm3
Polarizability: 37.5×10-24 cm3
Surface Tension: 50.9 dyne/cm
Enthalpy of Vaporization: 75.38 kJ/mol
Vapour Pressure: 1.14E-09 mmHg at 25 °C
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 306.173213
MonoIsotopic Mass: 306.173213
Topological Polar Surface Area: 28.3
Heavy Atom Count: 23
Complexity: 382
Canonical SMILES: CN1CCCC1C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKey: SLFSSUKLMIHWLW-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
1. | ipr-rat LD50:71 mg/kg | JMCMAR Journal of Medicinal Chemistry. 7 (1964),415. | ||
2. | ipr-mus LD50:100 mg/kg | JMCMAR Journal of Medicinal Chemistry. 7 (1964),415. |
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
5-Benzyloxy-3-(1-methyl-2-pyrrolidinyl)indole (CAS NO.14226-68-7) is also named as 5-23-12-00064 (Beilstein Handbook Reference) ; BRN 0758312 ; Indole, 5-benzyloxy-3-(1-methyl-2-pyrrolidinyl)- . 5-Benzyloxy-3-(1-methyl-2-pyrrolidinyl)indole (CAS NO.14226-68-7) is highly toxic. It is flammable by fire, heat and oxidants. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 5-Benzyloxy-3-(1-methyl-2-pyrrolidinyl)indole (CAS NO.14226-68-7) separate from raw materials of food.