1-Cyanoadamantane
Properties
- Molecular formula
- C11H15N
- Molar mass
- 161.25 g/mol
- Exact mass
- 161.1204 Da
- Melting point
- 184–187 °C
- logP
- 2.73Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed95.6% of notifiers
- H312 Harmful in contact with skin95.6% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation11.1% of notifiers
- H332 Harmful if inhaled93.3% of notifiers
Aggregated from 45 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, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
23074-42-2SMILES
N#CC12CC3CC(CC(C3)C1)C2InChIKey
FQFZASRJFRAEIH-UHFFFAOYSA-NInChI
InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Tricyclo[3.3.1.13,7]decane-1-carbonitrile
- 1-Adamantanecarbonitrile
- 1-Adamantylnitrile
- 1-Adamantyl cyanide
- 1-Adamantane carboxylic acid nitrile
- NSC 137842
Work with 1-Cyanoadamantane
Similar compounds
Tricyclo(3.3.1.13,7)decane-1-acetonitrile16269-13-944 % similar
1-Azabicyclo[2.2.2]octane-4-carbonitrile26458-78-636 % similar
Di-1-adamantylphosphine131211-27-335 % similar
1-Adamantylthiol34301-54-735 % similar
1-Bromoadamantane768-90-135 % similar
Amantadine768-94-535 % similar
1-Adamantanol768-95-635 % similar
1-Chloroadamantane935-56-835 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.