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Aminoethylnitrate

Aminoethylnitrate structure

CAS No:
646-02-6
Formula:
C2H6N2O3
Chemical Name:
Aminoethylnitrate
Categories:
Organic Chemistry > Nitrates

Description

Aminoethyl nitrate is a nitrate ester resulting from the formal condensation of the hydroxy group of ethanolamine with the hydroxy group of nitric acid. It causes vasodilation by generating nitric oxide and is used for the treatment of angina pectoris and ischemic heart disease. It has a role as a vasodilator agent. It is a nitrate ester and a primary amino compound. It derives from an ethanolamine.

Aminoethylnitrate Basic Attributes

Molecular Weight：

106.08064

Exact Mass：

106.03800

UNII：

S1IA7R2J48

DSSTox ID：

DTXSID40214846

HScode：

2922199090

Characteristics

PSA：

81.07000

XLogP3：

0.37690

Density：

1.257g/cm3

Boiling Point：

164.1ºC at 760 mmHg

Flash Point：

53ºC

Refractive Index：

1.448

Drug Information

MeSH Entry Terms：

aminoethyl nitrate

Computed Properties

Molecular Weight:106.08
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:106.03784206
Monoisotopic Mass:106.03784206
Topological Polar Surface Area:81.1
Heavy Atom Count:7
Complexity:58.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes