2-Methyl-2-nitropropane

C₄H₉NO₂CAS 594-70-7103.12 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₄H₉NO₂
Molar mass: 103.12 g/mol
Exact mass: 103.0633 Da
Melting point: 26.23 °C
Boiling point: 127.16 °C
logP: 1.06Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor86.7% of notifiers
H228 Flammable solid13.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

594-70-7

SMILES

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

InChIKey

AIMREYQYBFBEGQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3

Weigh it out

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

Names and synonyms

6 names

Propane, 2-methyl-2-nitro-
Trimethylnitromethane
2-Nitroisobutane
1,1-Dimethyl-1-nitroethane
2-Nitro-2-methylpropane
NSC 3651

Work with 2-Methyl-2-nitropropane

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

Dmdnb3964-18-958 % similar Tetranitromethane509-14-850 % similar 2-Bromo-2-nitropropane5447-97-250 % similar 2-Chloro-2-nitropropane594-71-850 % similar 1,1-Dichloro-1-nitroethane594-72-950 % similar 2,2,4-Trimethyl-4-nitropentane5342-78-944 % similar 2-Methyl-2-nitro-1,3-propanediol77-49-644 % similar Chloropicrin76-06-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-methylcarbamate105-40-8 Beta-aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook