Tricyclo(3.3.1.13,7)decane-1-acetonitrile

C₁₂H₁₇NCAS 16269-13-9175.27 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₂H₁₇N
Molar mass: 175.27 g/mol
Exact mass: 175.1361 Da
logP: 3.12Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16269-13-9

SMILES

C1C2CC3CC1CC(C2)(C3)CC#N

InChIKey

DXQVPXCZIRQITG-UHFFFAOYSA-N

InChI

InChI=1S/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2

Weigh it out

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

Names and synonyms

1 names

1-Adamantaneacetonitrile

Work with Tricyclo(3.3.1.13,7)decane-1-acetonitrile

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-Cyanoadamantane23074-42-244 % similar 1-(Hydroxymethyl)cyclopropaneacetonitrile152922-71-941 % similar Tricyclo[3.3.1.13,7]decane-1-methanamine17768-41-140 % similar 1-Ethyladamantane770-69-440 % similar Tricyclo[3.3.1.13,7]decane-1-methanol770-71-840 % similar Tricyclo[3.3.1.13,7]decane-1-ethanol6240-11-538 % similar 1-Adamantaneacetic acid4942-47-632 % similar Di-1-adamantylphosphine131211-27-332 % similar

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

Same formula

3-Benzylpiperidine13603-25-3 N-Cyclohexylbenzenamine1821-36-9 1-Methyl-3-phenylpiperidine19509-11-6 1-Benzylpiperidine2905-56-8 4-Benzylpiperidine31252-42-3 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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