NITROMETHANETRISPROPANOL

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Molecular Formula:

C10H21NO5

Molecular Weight:

235.28

CAS Number:

116747-80-9

Catalog Number:

116747-80-9

Product Information

Molecular Formula:

C10H21NO5

Molecular Weight:

235.28

Description

NITROMETHANETRISPROPANOL is a biomedical product that utilized for its therapeutic properties in the drug development of cardiovascular diseases such as arterial hypertension and angina pectoris. Its chemical composition and mechanism of action are highly efficient in regulating blood pressure, improving oxygen supply to the heart, and preventing chest pain associated with these conditions.

Synonyms

Nitromethanetrispropanol; 4-(3-Hydroxypropyl)-4-nitro-1,7-heptanediol; 4-(3-hydroxypropyl)-4-nitroheptane-1,7-diol; AC1NNHEU; 361534_ALDRICH; SCHEMBL2637043

IUPAC Name

4-(3-hydroxypropyl)-4-nitroheptane-1,7-diol

Canonical SMILES

C(CC(CCCO)(CCCO)[N+](=O)[O-])CO

InChI

InChI=1S/C10H21NO5/c12-7-1-4-10(11(15)16,5-2-8-13)6-3-9-14/h12-14H,1-9H2

InChI Key

WQOWCQQAYGOQNI-UHFFFAOYSA-N

Boiling Point

447.5ºC at 760mmHg

Melting Point

59-65ºC(lit.)

Flash Point

Not applicable

Purity

95%

Density

1.182g/cm3

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

235.14197277 g/mol

Monoisotopic Mass

235.14197277 g/mol

Topological Polar Surface Area

107Å²

Heavy Atom Count

Formal Charge

Complexity

170

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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NITROMETHANETRISPROPANOL

Product Information

Computed Properties

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