3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile
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![3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5856440201c94eba882b0a3611b52217.png "3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile")
3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile
structure -
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CAS No:
30078-48-9
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Formula:
C19H20N2O3
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Chemical Name:
3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile
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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
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CAS No:
3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile Basic Attributes
324.378
324.37
250-033-1
5Q95C8RK37
2926909090
Characteristics
63.51000
3.05
1.2±0.1 g/cm3
130-136°C
500.2±50.0 °C at 760 mmHg
256.3±30.1 °C
1.592
Refrigerator
Safety Information
NONH for all modes of transport
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
H302
|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
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![China]()
CN
3 YRS
Business licensedDistributor Supplier of peptoneInquiryCAS No.: 30078-48-9Grade: Pharmaceutical GradeContent: 99%
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3,4,5-Trimethoxy-α-[(phenylamino)methylene]benzenepropanenitrile
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