5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole

C₁₁H₁₉ClN₄CAS 73963-42-5242.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₉ClN₄
Molar mass: 242.75 g/mol
Exact mass: 242.1298 Da
Melting point: 84.5–86.5 °C
logP: 2.74Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H228 Flammable solid25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers

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

Precautionary statements

P210, P240, P241, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378

Identifiers

CAS number

73963-42-5

SMILES

ClCCCCc1nnnn1C1CCCCC1

InChIKey

INTQSGGUSUSCTJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2

Weigh it out

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

Names and synonyms

3 names

1H-Tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-
1-Cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole
1-Cyclohexyl-5-(4-chlorobutyl)tetrazole

Work with 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole

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

Cilostazol73963-72-141 % similar Pentylenetetrazole54-95-539 % similar 1-Chloro-8-phenyloctane61440-32-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook