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1,3-Glyceryl dinitrate

1,3-Glyceryl dinitrate structure

CAS No:
623-87-0
Formula:
C3H6N2O7
Chemical Name:
1,3-Glyceryl dinitrate
Synonyms:
1,2,3-Propanetriol,1,3-dinitrate;Glycerol,1,3-dinitrate;1,3-Glyceryl dinitrate;1,3-Dinitroglycerin
Categories:
Organic Chemistry > Inorganic Acid Esters

Description

ChEBI: A dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes.

1,3-dinitroglycerol is a dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes. It has a role as a vasodilator agent. It is a dinitroglycerol and a secondary alcohol.

1,3-Glyceryl dinitrate Basic Attributes

Molecular Weight：

182.09

Exact Mass：

182.09

EC Number：

200-835-2

UNII：

3P3G498O9T

HScode：

2920909090

Characteristics

PSA：

130

XLogP3：

0.1

Density：

1.594 g/cm3

Melting Point：

26 °C

Boiling Point：

148 °C

Flash Point：

2℃

Refractive Index：

1.489

Water Solubility：

72.7g/L(20 ºC)

Storage Conditions：

-20°C

Safety Information

Packing level：

Hazard category：

1.1A

Transport codes：

0473

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

Drug Information

MeSH：

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

MeSH Entry Terms：

1,2-dinitroglycerol

Computed Properties

Molecular Weight:182.09
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:182.01750053
Monoisotopic Mass:182.01750053
Topological Polar Surface Area:130
Heavy Atom Count:12
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes