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3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile

3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile structure

CAS No:
30078-48-9
Formula:
C19H20N2O3
Chemical Name:
3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile
Synonyms:
Benzenepropanenitrile,3,4,5-trimethoxy-α-[(phenylamino)methylene]-;Hydrocinnamonitrile,α-(anilinomethylene)-3,4,5-trimethoxy-;3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile;TAA;3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile;3-(Phenylamino)-2-(3,4,5-trimethoxybenzyl)prop-2-enenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Crystalline Solid

3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile Basic Attributes

Molecular Weight：

324.378

Exact Mass：

324.37

EC Number：

250-033-1

UNII：

5Q95C8RK37

HScode：

2926909090

Characteristics

PSA：

63.51000

XLogP3：

3.05

Density：

1.2±0.1 g/cm3

Melting Point：

130-136°C

Boiling Point：

500.2±50.0 °C at 760 mmHg

Flash Point：

256.3±30.1 °C

Refractive Index：

1.592

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile Use and Manufacturing

Used as a reference standard for the drug Trimethoprim.Note this compound is a cis / trans mixture

Computed Properties

Molecular Weight:324.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:324.14739250
Monoisotopic Mass:324.14739250
Topological Polar Surface Area:63.5
Heavy Atom Count:24
Complexity:437
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile

Jinshu Peptide Co.,Ltd Contact Supplier

CN
3 YRS

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Trader Supplier of peptone

Professional factory direct supply high quality 99% purity 3-Anilino-2-(3,4,5-trimethoxybenzyl)acrylonitrile;Trimethoprim impurity I

CAS No.: 30078-48-9

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile

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