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113772-12-6

2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE is a chemical compound with a complex structure that features an indole ring, a common aromatic heterocyclic organic compound, fused with a tetrahydro ring. The molecule is further characterized by the presence of a nitrile group, which enhances its negative polarity, and a methoxybenzyl group, adding to its organic chemistry profile. The specific properties of this compound, such as color, melting point, boiling point, solubility, and potential applications, are not fully known and would necessitate detailed experimentation or reference to specialized resources.

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  • 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE

    Cas No: 113772-12-6

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  • 2-Amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

    Cas No: 113772-12-6

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  • 113772-12-6 Structure

  • Basic information

    1. Product Name: 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
    2. Synonyms: 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
    3. CAS NO:113772-12-6
    4. Molecular Formula: C17H19N3O
    5. Molecular Weight: 281.35
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 113772-12-6.mol

  • Chemical Properties

    1. Melting Point: 130-132°C
    2. Boiling Point: 516.8°Cat760mmHg
    3. Flash Point: 266.4°C
    4. Appearance: /
    5. Density: 1.21g/cm3
    6. Vapor Pressure: 8.69E-11mmHg at 25°C
    7. Refractive Index: 1.631
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 3.19±0.20(Predicted)
    11. CAS DataBase Reference: 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE(113772-12-6)
    13. EPA Substance Registry System: 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE(113772-12-6)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 113772-12-6(Hazardous Substances Data)

113772-12-6 Usage

Uses

Since the provided materials do not specify any particular applications for 2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE, it is not possible to list its uses based on the information given. However, given its structural components, it can be hypothesized that this compound might find applications in various fields of chemistry and material science, potentially including pharmaceuticals, agrochemicals, or as an intermediate in the synthesis of other organic compounds. Further research and experimentation would be required to confirm its practical applications and benefits in specific industries.

Check Digit Verification of cas no

The CAS Registry Mumber 113772-12-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,7,7 and 2 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 113772-12:
(8*1)+(7*1)+(6*3)+(5*7)+(4*7)+(3*2)+(2*1)+(1*2)=106
106 % 10 = 6
So 113772-12-6 is a valid CAS Registry Number.
InChI:InChI=1/C17H19N3O/c1-21-13-8-6-12(7-9-13)11-20-16-5-3-2-4-14(16)15(10-18)17(20)19/h6-9H,2-5,11,19H2,1H3

113772-12-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 1H-Indole-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-1-[(4-methoxyphenyl)methyl]

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:113772-12-6 SDS

113772-12-6Relevant articles and documents

Syntheses of Functionalised Pyridoindoles

Forbes, Ian T.,Johnson, Christopher N.,Thompson, Mervyn

, p. 275 - 282 (2007/10/02)

Two complementary routes for the synthesis of highly functionalised pyridoindoles are described, starting from the readily available 2-amino-3-cyano-1-(4-methoxybenzyl)tetrahydroindole and methyl 2-aminoindole-3-carboxylate, respectively.The use of

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