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CP 94

CP 94 structure

CAS No:
115900-75-9
Formula:
C9H13NO2
Chemical Name:
CP 94
Synonyms:
4(1H)-Pyridinone,1,2-diethyl-3-hydroxy-;1,2-Diethyl-3-hydroxy-4(1H)-pyridinone;1,2-Diethyl-3-hydroxypyrid-4-one;CP 94;1,2-Diethyl-3-hydroxypyridin-4-one;CGP 46700;1,2-Diethyl-3-hydroxy-1,4-dihydropyridin-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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CP 94 Basic Attributes

Molecular Weight：

167.208

Exact Mass：

167.21

UNII：

G3PX21X7IU

DSSTox ID：

DTXSID00151223

Characteristics

PSA：

40.5

XLogP3：

1.13620

Density：

1.124g/cm3

Boiling Point：

266.3ºC at 760mmHg

Flash Point：

114.9ºC

Refractive Index：

1.533

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)

MeSH Entry Terms：

1,2-diethyl-3-hydroxypyridin-4-one

Computed Properties

Molecular Weight:167.20
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes