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(Z)-Entacapone

(Z)-Entacapone structure

CAS No:
145195-63-7
Formula:
C14H15N3O5
Chemical Name:
(Z)-Entacapone
Synonyms:
2-Propenamide,2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-,(2Z)-;2-Propenamide,2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-,(Z)-;(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide;(Z)-Entacapone;(Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
Categories:
Analytical Chemistry > Standard

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Description

Orange Solid

2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide is a hydroxycinnamic acid.

(Z)-Entacapone Basic Attributes

Molecular Weight：

305.29

Exact Mass：

305.29

UNII：

4X96VV9HUQ

HScode：

2926900005

Characteristics

PSA：

130

XLogP3：

2.30458

Melting Point：

142-144°C

Storage Conditions：

Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Safety Information

Transport codes：

NONH for all modes of transport

(Z)-Entacapone Use and Manufacturing

(Z)-Isomer of Entacapone polymorphic form B. Antiparkinsonian

Computed Properties

Molecular Weight:305.29
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:305.10117059
Monoisotopic Mass:305.10117059
Topological Polar Surface Area:130
Heavy Atom Count:22
Complexity:500
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes