5-Bromotryptamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
3610-42-2- Standard SMILES
NCCc1c[nH]c2ccc(Br)cc12- InChIKey
CGHUQJRRADEHTQ-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2
- Average molar mass
- 239.11 g/mol
- Monoisotopic mass
- 238.01056045
Names & identifiers
- Preferred name
- 5-Bromotryptamine
- IUPAC
- 2-(5-bromo-1H-indol-3-yl)ethanamine
- English name
- 5-bromo-1H-indole-3-ethylamine
- Molecular formula
- C10H11BrN2
- Molecular weight
- 239.11
Names & synonyms
5-Bromotryptamine3610-42-2RefChem:913287222-779-82-(5-bromo-1H-indol-3-yl)ethanamine5-Bromo-1H-indole-3-ethylamine2-(5-BROMO-1H-INDOL-3-YL)ETHAN-1-AMINE5-Bromo-1H-indole-3-ethanamineCHEMBL1288717MFCD001301692-(5-BROMO-1H-INDOL-3-YL)-ETHYLAMINEEINECS 222-779-8
Show more names
2-(5-bromo-1H-indol-3-yl)ethan-1-amine hydrochloride5-bromotryptamin5-Bromo-1H-indole-3-(ethanamine)3-(2-Aminoethyl)-5-bromoindole,97%3-(2-AMinoethyl)-5-broMoindole, 97%
3-(2-Aminoethyl)-5-bromoindoleDTXSID409575041H-Indole-3-ethanamine,5-bromo-5-bromo-tryptamine5-Br-TOprea1_552997SCHEMBL1520598SCHEMBL29791683
Database identifiers
- CAS
3610-42-2- PubChem CID
- 77158
- DTXSID
DTXSID40957504- ChEMBL
CHEMBL1288717- EC Number
- 222-779-8
- Nikkaji
- J205.538D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- 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
- Boiling point
- 396.2 · 396.2±27.0 °C(Predicted)
- Density
- 1.547 · 1.547±0.06 g/cm3(Predicted)
- pka
- 16.24 · 16.24±0.30(Predicted)
- form
- Solid
- InChI
- 1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
- InChIKey
- CGHUQJRRADEHTQ-UHFFFAOYSA-N
- SMILES
- BrC1=CC2=C(C=C1)NC=C2CCN
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933990099 · 2933990099
- Storage Class
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]
P264, P270, P301+P317, P330, 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%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933990099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-Boc-O-benzyl-D-tyrosine is used as a intermediate for pharmaceutical and chemical research.
Upstream & downstream products
Downstream products
Related reactions
14 records
Compound notes
Loading…