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4-BENZYLOXY-3-INDOLEACETONITRILE

4-BENZYLOXY-3-INDOLEACETONITRILE structure

4-BENZYLOXY-3-INDOLEACETONITRILE 

structure
  • CAS No:

    1464-11-5

  • Formula:

    C17H14N2O

  • Chemical Name:

    4-BENZYLOXY-3-INDOLEACETONITRILE

  • Synonyms:

    4-BENZYLOXY-3-INDOLEACETONITRILE;4-BENZYLOXYINDOLE-3-ACETONITRILE;4-BENZYLOXY-3-INDOLYLACETONITRILE;4-(PhenylMethoxy)-1H-indole-3-acetonitrile;2-(4-(Benzyloxy)-1H-indol-3-yl)acetonitrile

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Light Brown Solid

4-BENZYLOXY-3-INDOLEACETONITRILE Basic Attributes

262.31

262.11100

DTXSID40454386

2933990090

Characteristics

48.8

3.81298

Light brown solid

1.232±0.06 g/cm3(Predicted)

97-100 °C

502.3±40.0 °C(Predicted)

257.601ºC

1.667

0mmHg at 25°C

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-BENZYLOXY-3-INDOLEACETONITRILE Use and Manufacturing

A tryptamine derivative, also an intermediate in the synthesis of the neurotransmitter agonist 4-Hydroxytryptamine Creatinine

Computed Properties

Molecular Weight:262.30
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:262.110613074
Monoisotopic Mass:262.110613074
Topological Polar Surface Area:48.8
Heavy Atom Count:20
Complexity:355
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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