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Glyceryl 1,2-dinitrate

Glyceryl 1,2-dinitrate structure

CAS No:
621-65-8
Formula:
C3H6N2O7
Chemical Name:
Glyceryl 1,2-dinitrate
Synonyms:
1,2,3-Propanetriol,1,2-dinitrate;Glycerol,1,2-dinitrate;Glyceryl 1,2-dinitrate;1,2-Dinitroglycerin
Categories:
Organic Chemistry > Nitro Compounds

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Description

1,2-dinitroglycerol is a primary alcohol and a dinitroglycerol. It derives from a glycerol.

Glyceryl 1,2-dinitrate Basic Attributes

Molecular Weight：

182.08900

Exact Mass：

182.09

EC Number：

248-402-7

HScode：

2920909090

Characteristics

PSA：

130.33000

XLogP3：

0.7

Density：

1.594±0.06 g/cm3(Predicted)

Flash Point：

35.6 °F

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

safety instructions：

16-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H302 + 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
XLogP3:0.7
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:159
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes