Basic information
- CAS
1116229-84-5- Standard SMILES
COc1cc2c(cc1N)N(C(=O)CN(C)C)CC2- InChIKey
IYJXFRBYNGFYHJ-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772685
Names & identifiers
- Preferred name
- 1-(6-Amino-5-methoxy-2,3-dihydro-1H-indol-1-yl)-2-(dimethylamino)ethan-1-one
- IUPAC
- 1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
- English name
- 1-(6-Amino-5-methoxyindolin-1-yl)-2-(dimethylamino)ethanone
- Molecular formula
- C13H19N3O2
- Molecular weight
- 249.31
Names & synonyms
SCHEMBL2206362DTXSID90696895IYJXFRBYNGFYHJ-UHFFFAOYSA-NAKOS016006776SY345917DB-097605CS-0161893F6905601-[(dimethylamino)acetyl]-5-(methyloxy)-2,3-dihydro-1H-indol-6-amine1-(6-Amino-5-methoxy-2,3-dihydro-1H-indol-1-yl)-2-(dimethylamino)ethan-1-one1-(6-Amino-5-methoxyindolin-1-yl)-2-(dimethylamino)ethanoneEthanone, 1-(6-amino-2,3-dihydro-5-methoxy-1H-indol-1-yl)-2-(dimethylamino)-
Database identifiers
- CAS
1116229-84-5- PubChem CID
- 53414764
- DTXSID
DTXSID90696895
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
15 records
Compound notes
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