1-(7-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Basic information
- CAS
51501-31-6- Standard SMILES
CC(=O)N1CCc2cccc(N)c21- InChIKey
ZFSYJCQFOKJSFE-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 1-(7-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one
- IUPAC
- 1-(7-amino-2,3-dihydroindol-1-yl)ethanone
- English name
- 1-ACETYL-7-AMINO-2,3-DIHYDRO-(1H)-INDOLE
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
51501-31-61-(7-Amino-2,3-dihydro-1H-indol-1-yl)ethan-1-oneDTXSID50370629RefChem:225931DTXCID20321663674-986-11-(7-aminoindolin-1-yl)ethanone1-Acetyl-7-amino-2,3-dihydro-1H-indole1-Acetyl-7-aminoindolineMFCD002035371-(7-amino-2,3-dihydroindol-1-yl)ethanone1-acetyl-7-amino-2,3-dihydro-(1h)-indole
Show more names
1-acetyl-7-indolinamine1-ACETYLINDOLIN-7-AMINE1-Acetyl-7-amino-2,3-dihydro-1h-indo1-acetyl-2,3-dihydro-1H-indol-7-aMine1-Acetyl-2,3-dihydro-1H-indol-7-ylamine-(7-amino-2,3-dihydroindol-1-yl)ethanone
1-(7-aminoindolin-1-yl)ethan-1-one1-(7-amino-2,3-dihydro-1H-indol-1-yl)ethanoneMaybridge3_005218Oprea1_302168SCHEMBL2255409ZFSYJCQFOKJSFE-UHFFFAOYSA-N1-(7-Amino-1-indolinyl)ethanoneHMS1445N04
Database identifiers
- CAS
51501-31-6- PubChem CID
- 2735232
- DTXSID
DTXSID50370629- EC Number
- 674-986-1
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 157 °C · 157 °C
- Boiling point
- 425.574 · 425.574±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.79 · 3.790±0.20(predicted)
- form
- solid
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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