Basic information
- CAS
58074-24-1- Standard SMILES
CCOC(=O)c1[nH]c2c(c1O)CCCC2- InChIKey
HJUVQCWLSAFWHW-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl ester
- IUPAC
- ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
- English name
- ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
58074-24-11H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-hydroxy-, ethyl esterDTXSID00344350RefChem:238976DTXCID10295425Ethyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylateMFCD129745944,5,6,7-Tetrahydro-3-hydroxy-1H-indole-2-carboxylic acid ethyl esterEthyl 4,5,6,7-tetrahydro-3-hydroxyindole-2-carboxylateSCHEMBL11276300ZB1084BS-48780
Show more names
3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid ethyl ester
CS-0529722F74339F782076Ethyl3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylateEthyl 3-hydroxy-4,5,6,7-tetrahydro-1H-indole-2-carboxylate #ethyl 3-oxidanyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate3-Hydroxy-4,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
58074-24-1- PubChem CID
- 596121
- DTXSID
DTXSID00344350- Nikkaji
- J526.452I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 94.5 · 94.5-96.0 °C
- Boiling point
- 390.1 · 390.1±42.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 11.34 · 11.34±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers21 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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]
常州宣叶科技有限公司15195022192 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
张家界恒康生物药业有限公司13975184000 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
南通多予医药科技有限公司15221991309 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
3 records
Compound notes
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