Isopropyl nitrite

C₃H₇NO₂CAS 541-42-489.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₇NO₂
Molar mass: 89.09 g/mol
Exact mass: 89.0477 Da
Density: 0.8684 g/mL (at 15 °C)
Boiling point: 40 °C
logP: 1.09Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

541-42-4

SMILES

CC(C)ON=O

InChIKey

SKRDXYBATCVEMS-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names

Nitrous acid, 1-methylethyl ester
Nitrous acid, isopropyl ester

Work with Isopropyl nitrite

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isobutyl nitrite542-56-338 % similar Diisopropylphosphite1809-20-736 % similar Methyl nitrite624-91-935 % similar Isoamyl nitrite110-46-335 % similar Diisopropyl ether108-20-333 % similar Diisopropyl azodicarboxylate2446-83-532 % similar tert-Butyl nitrite540-80-732 % similar Ethyl nitrite109-95-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 Alanine302-72-7 D-Alanine338-69-2 Ethyl carbamate51-79-6 Propyl nitrite543-67-9

Elsewhere

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