Basic information
- CAS
65547-91-3- Standard SMILES
CCOC(=O)c1c(N)n(O)c2ccccc12- InChIKey
YAWKYANZHHPEKX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- Ethyl 2-amino-1-hydroxy-1H-indole-3-carboxylate
- IUPAC
- ethyl 2-amino-1-hydroxyindole-3-carboxylate
- English name
- ethyl 2-amino-1-hydroxyindole-3-carboxylate
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
Ethyl 2-amino-1-hydroxy-1H-indole-3-carboxylate65547-91-3ETHYL 2-AMINO-1-HYDROXYINDOLE-3-CARBOXYLATEMFCD303424591H-Indole-3-carboxylic acid, 2-amino-1-hydroxy-, ethyl esterDTXSID20495196AKOS027461098DS-19203DB-141995CS-0162532ethyl 2-amino-1-hydroxy-indole-3-carboxylateC76055
Show more names
Ethyl2-amino-1-hydroxy-1H-indole-3-carboxylateF519635
Database identifiers
- CAS
65547-91-3- PubChem CID
- 12377570
- DTXSID
DTXSID20495196- Nikkaji
- J576.784I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 175 · 175-176 °C
- Boiling point
- 449 · 449.0±48.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 11.8 · 11.80±0.58(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
嘉兴瑞驰生物科技有限公司0573-11111111-1111 18969316891 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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