Adamantane

C₁₀H₁₆CAS 281-23-2136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 1.07 g/mL
Melting point: 205 °C
logP: 2.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation13% of notifiers
H400 Very toxic to aquatic life94.4% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

281-23-2

SMILES

C1C2CC3CC1CC(C2)C3

InChIKey

ORILYTVJVMAKLC-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

Weigh it out

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

Names and synonyms

3 names

A 0696
Tricyclo[3.3.1.13,7]decane
NSC 527913

Reactions

ADAMANTANE (Tricyclo[3.3.1.13,7] decane)product

Work with Adamantane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Adamantanol700-57-243 % similar 2-Bromoadamantane7314-85-443 % similar 2-Chloroadamantane7346-41-043 % similar Adamantanone700-58-340 % similar 2-Aminoadamantane hydrochloride10523-68-935 % similar Adamantane-2-carbonitrile35856-00-935 % similar Di-1-adamantylphosphine131211-27-333 % similar Bicyclobutane157-33-533 % similar

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

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 exo-Tetrahydrodicyclopentadiene2825-82-3

Elsewhere

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