chempirical

Azocane

C7H15NCAS 1121-92-2113.20 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C7H15N
Molar mass
113.20 g/mol
Exact mass
113.1204 Da
Density
0.869 g/mL (at 17 °C)
Melting point
29 °C
Boiling point
174–175 °C (at 764 Torr)
logP
1.54Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
1121-92-2
SMILES
C1CCCNCCC1
InChIKey
QXNDZONIWRINJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2

Weigh it out

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

Names and synonyms

7 names
  • Azocine, octahydro-
  • Heptamethylenimine
  • Octahydroazocine
  • Azacyclooctane
  • Perhydroazocine
  • 1-Azacyclooctane
  • Azocan

Work with Azocane

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

Piperidine110-89-4100 % similar Azepane111-49-9100 % similar Pyrrolidine123-75-189 % similar Piperidinium chloride6091-44-775 % similar Azetidine503-29-770 % similar 1,4,8,12-Tetraazacyclopentadecane15439-16-464 % similar Cyclam295-37-464 % similar 1,4-Diazacycloheptane505-66-864 % similar

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

Same formula

Methylcyclohexylamine100-60-7 3,3-Dimethylpiperidine1193-12-0 2-Ethylpiperidine1484-80-6 trans-4-Methylcyclohexylamine2523-55-9 (Cyclopropylmethyl)propylamine26389-60-6 Cyclohexanemethanamine3218-02-8 3,5-Dimethylpiperidine35794-11-7 2,6-Dimethylpiperidine504-03-0

Elsewhere

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