Basic information
- Standard SMILES
NCCc1c[nH]c2c(Cl)cccc12- InChIKey
QKRNGBURTLCWBQ-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.06107603
Names & identifiers
- Preferred name
- 1H-Indole-3-ethanamine, 7-chloro-
- IUPAC
- 2-(7-chloro-1H-indol-3-yl)ethanamine
- English name
- 2-(7-chloro-1H-indol-3-yl)ethanamine
- Molecular formula
- C10H11ClN2
- Molecular weight
- 194.66
Names & synonyms
3804-16-82-(7-chloro-1H-indol-3-yl)ethanamine1H-Indole-3-ethanamine, 7-chloro-2-(7-CHLORO-1H-INDOL-3-YL)ETHAN-1-AMINECHEMBL33306437-Chloro-1H-indole-ethanamine7-chloro-1H-indole-3-ethanamine7-chlorotryptamineSCHEMBL2535159DTXSID50191457QKRNGBURTLCWBQ-UHFFFAOYSA-N7-chloro-1 H-indole-3-ethanamine
Show more names
DAA80416BDBM50025219AKOS006303589EBC-615171EN300-194465F70441
Database identifiers
- CAS
3804-16-8- PubChem CID
- 145709
- DTXSID
DTXSID50191457- ChEMBL
CHEMBL3330643- Nikkaji
- J3.191.127C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 375.7 · 375.7±27.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 15.62 · 15.62±0.30(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
4 records
Linked notes
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