HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Acetyl-6-aminoindoline
NSC 87623 · 1-ACETYLINDOLIN-6-AMINE · 6-Amino-N-acetylindoline · 1-Acetyl-6-aminoindoline · 1-Acetyl-6-aminoindoline 95+% · 1-(6-Aminoindolin-1-yl)ethanone · 1-(6-amino-1-indolinyl)ethanone · 1-Acetyl-6-aminoindoline powder

Identifiers & Physical Properties
| CAS No. | 62368-29-0 |
|---|---|
| Molecular formula | C10H12N2O |
| Average molar mass | 176.21 g/mol |
| Monoisotopic mass | 176.094963 g/mol |
| SMILES | CC(=O)N1CCc2ccc(N)cc21 |
| InChIKey | LOZKZWIQDVEDCQ-UHFFFAOYSA-N |
| PubChem CID | 258564 |
| ChEMBL | CHEMBL1877102 |
| EC No. | 622-695-5 |
| DTXSID | DTXSID00293172 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 217 |
| Melting point | 182 °C |
| Storage conditions | 2-8°C |
| Physical state | powder |
| Color | yellow to tan |
| InChI | 1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3 |
| InChIKey | LOZKZWIQDVEDCQ-UHFFFAOYSA-N |
| SMILES | CC(=O)N1CCc2ccc(N)cc12 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 2933998090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Irritant |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302 |
| Hazard class | Acute Tox. 4 Oral |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
Applications & Uses
Uses
Reactant for preparation of:Transient receptor potential cation channel V1 (TRPV1) antagonistsInhibitor of the human immunodeficiency virus (HIV) envelope glycoprotein gp120 binding to the cluster of differentiation 4 (CD4) receptorAntiproliferative agentsSerotonin 5-HT2C/2B receptor antagonists
Uses
1-Acetyl-6-aminoindoline is a reactant in the synthesis of anilines, phenols, and heterocycles with aryl iodides.