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Propatyl nitrate

Propatyl nitrate structure

CAS No:
2921-92-8
Formula:
C6H11N3O9
Chemical Name:
Propatyl nitrate
Synonyms:
1,3-Propanediol,2-ethyl-2-[(nitrooxy)methyl]-,1,3-dinitrate;1,3-Propanediol,2-ethyl-2-(hydroxymethyl)-,trinitrate;1,3-Propanediol,2-ethyl-2-[(nitrooxy)methyl]-,dinitrate (ester);WIN 9317;2-Ethyl-2-(hydroxymethyl)-1,3-propanediol trinitrate;Etrynit;ETTN;Ettriol trinitrate;Propatyl nitrate;1,1,1-Tris(hydroxymethyl)propane trinitrate;Atrilon 5;Vasangor;Gina;Ginapect;Vassangor
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

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Description

mp 51-52°C

Propatylnitrate is a nitrate ester.

Propatyl nitrate Basic Attributes

Molecular Weight：

105.09258

Exact Mass：

269.17

EC Number：

220-866-5

UNII：

AJT2YN495R

DSSTox ID：

DTXSID40183467

ATC Code：

C - Cardiovascular system

Characteristics

PSA：

165.15000

XLogP3：

1.57730

Density：

1.49

Melting Point：

51.5 °C

Boiling Point：

356ºC at 760mmHg

Flash Point：

159ºC

Refractive Index：

1.485

Vapor Pressure：

6.17E-05mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H201 (100%): Explosive; mass explosion hazard [Danger Explosives]|P210, P230, P240, P250, P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P370+P380, P372, P373, P401, 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 Entry Terms：

1,1,1-tris(hydroxymethyl)propane nitrate

Propatyl nitrate Use and Manufacturing

Vasodilator (coronary).

Computed Properties

Molecular Weight:269.17
XLogP3:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:269.04952894
Monoisotopic Mass:269.04952894
Topological Polar Surface Area:165
Heavy Atom Count:18
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes