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Basic Information
CAS No.: 14226-68-7
Name: 5-(Benzyloxy)-3-(1-methyl-2-pyrrolidinyl)-1H-indole
Molecular Structure:
Molecular Structure of 14226-68-7 (5-(Benzyloxy)-3-(1-methyl-2-pyrrolidinyl)-1H-indole)
Formula: C20H22 N2 O
Molecular Weight: 306.407
Synonyms: Indole,5-(benzyloxy)-3-(1-methyl-2-pyrrolidinyl)- (7CI,8CI)
Density: 1.173g/cm3
Boiling Point: 487.9°C at 760 mmHg
Flash Point: 248.8°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
PSA: 28.26000
LogP: 4.45150
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  • 1H-Indole,3-(1-methyl-2-pyrrolidinyl)-5-(phenylmethoxy)-

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    14226-68-7

    1H-Indole,3-(1-methyl-2-pyrrolidinyl)-5-(phenylmethoxy)-

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.

Specification

 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.