3-(4-Chlorbutyl)-1H-indol-5-carbonitril
Properties
- Molecular formula
- C13H13ClN2
- Molar mass
- 232.71 g/mol
- Exact mass
- 232.0767 Da
- logP
- 3.60Crippen estimate
- Polar surface area
- 39.6 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H400 Very toxic to aquatic life33.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
143612-79-7SMILES
C1=CC2=C(C=C1C#N)C(=CN2)CCCCClInChIKey
NJJWMEJWFYRORL-UHFFFAOYSA-NInChI
InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(4-Chlorobutyl)-5-cyanoindole
Work with 3-(4-Chlorbutyl)-1H-indol-5-carbonitril
Similar compounds
3-Formyl-1H-indole-5-carbonitrile17380-18-649 % similar
Vilazodone163521-12-846 % similar
Vilazodone hydrochloride163521-08-244 % similar
Indole-3-propanol3569-21-941 % similar
3-Formyl-1H-indole-6-carbonitrile83783-33-940 % similar
Indole-5-carbonitrile15861-24-240 % similar
5-Bromo-1H-indole-3-ethanol32774-29-138 % similar
5-Chlorotryptamine3764-94-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.