2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
Basic information
- CAS
727718-50-5- Standard SMILES
NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12- InChIKey
ZPKMAEIACURLLY-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N2
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0534038
Names & identifiers
- Preferred name
- 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
- IUPAC
- 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine
Names & synonyms
727718-50-52-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethan-1-amineRefChem:451946859-907-22-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanaminebeta-(2,4-Dichlorophenyl)-1H-indole-3-ethanamineMLS001178237CHEMBL1314190REGID_for_CID_3298744HMS2862D22CEB71850SBB039049
Show more names
AKOS000117658AKOS016039038SMR000589043CS-0221403EN300-09064G263172-(2,4-dichlorophenyl)-2-indol-3-ylethylamine|A-(2,4-Dichlorophenyl)-1H-indole-3-ethanamine
Database identifiers
- CAS
727718-50-5- PubChem CID
- 3298744
- ChEMBL
CHEMBL1314190- EC Number
- 859-907-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…