(2-(1H-indol-3-yl)ethyl)((1-methyl-1H-pyrrol-2-yl)methyl)amine
Basic information
- CAS
289487-79-2- Standard SMILES
Cn1cccc1CNCCc1c[nH]c2ccccc12- InChIKey
JMDFJNUSALBEDM-UHFFFAOYSA-N- Molecular formula
- C16H19N3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.15789762
Names & identifiers
- Preferred name
- (2-(1H-indol-3-yl)ethyl)((1-methyl-1H-pyrrol-2-yl)methyl)amine
- IUPAC
- 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
- English name
- 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine
- Molecular formula
- C16H19N3
- Molecular weight
- 253.34
Names & synonyms
289487-79-2[2-(1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine(2-(1H-indol-3-yl)ethyl)((1-methyl-1H-pyrrol-2-yl)methyl)amineRefChem:394825962-247-92-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine(2-indol-3-ylethyl)[(1-methylpyrrol-2-yl)methyl]amine4AQ2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanaminePLA48779[2-(1H-Indol-3-yl)-ethyl]-(1-methyl-1H-pyrrol-2-ylmethyl)-amineSBB027913
Show more names
N-(2-(1H-Indol-3-yl)ethyl)-1-(1H-pyrrol-2-yl)ethanamine1H-Indole-3-ethanamine, N-[(1-methyl-1H-pyrrol-2-yl)methyl]-
STK283529AKOS000284548ST45170003EN300-233957AK-968/15364347Q27454556Z111524914
Database identifiers
- CAS
289487-79-2- PubChem CID
- 4215041
- EC Number
- 962-247-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 456.871 · 456.871±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.131 · 1.131±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.241 · 17.241±0.30(predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
Applications
Uses[2-(1H-Indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine has been used to determine the experimental Active-Site Mapping by Fragments.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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