Di-1-adamantylphosphine

C₂₀H₃₁PCAS 131211-27-3302.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₃₁P
Molar mass: 302.44 g/mol
Exact mass: 302.2163 Da
Melting point: 174–176 °C
logP: 5.60Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H311 Toxic in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

131211-27-3

SMILES

C1C2CC3CC1CC(PC14CC5CC(CC(C5)C1)C4)(C2)C3

InChIKey

RRRZOLBZYZWQBZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H31P/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18,21H,1-12H2

Weigh it out

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

Names and synonyms

4 names

Phosphine, bis(tricyclo[3.3.1.13,7]dec-1-yl)-
Bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphine
Diadamantylphosphine
Bis(adamant-1-yl)phosphine

Work with Di-1-adamantylphosphine

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

1-Adamantylthiol34301-54-740 % similar 1-Bromoadamantane768-90-140 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar 1-Chloroadamantane935-56-840 % similar Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-136 % similar 1-Ethyladamantane770-69-436 % similar Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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