Basic information
- CAS
404888-00-2- Standard SMILES
CC(C)(C)OC(=O)n1cc(C=O)c2c(O)cccc21- InChIKey
UTVZHXNPZANGME-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Names & identifiers
- Preferred name
- 1-Boc-3-Formyl-4-hydroxyindole
- IUPAC
- tert-butyl 3-formyl-4-hydroxyindole-1-carboxylate
- English name
- 3-Formyl-4-hydroxyindole-1-carboxylic acid tert-butyl ester
- Molecular formula
- C14H15NO4
- Molecular weight
- 261.27
Names & synonyms
1-Boc-3-Formyl-4-hydroxyindole404888-00-2tert-Butyl 3-formyl-4-hydroxy-1H-indole-1-carboxylate3-Formyl-4-hydroxyindole-1-carboxylic acid tert-butyl estertert-butyl 3-formyl-4-hydroxyindole-1-carboxylateMFCD05864720Tert-butyl 3-formyl-4-hydroxy-indole-1-carboxylateSCHEMBL6304561DTXSID30451824UTVZHXNPZANGME-UHFFFAOYSA-NSBB1024231H-Indole-1-carboxylic acid, 3-formyl-4-hydroxy-, 1,1-dimethylethyl ester
Show more names
Zinc02563744BOC-4-HYDROXYINDOLE-3-CARBOXALDEHYDE4-Hydroxyindole-3-carboxaldehyde, N-BOC protected4-Hydroxyindole-3-carboxaldehyde, N-BOC protected 98%4-Hydroxy-1H-indole-3-carboxaldehyde, N-BOC protected 95+%3-Formyl-4-hydroxyindole-1-carboxylic acid t-butyl ester
AKOS015837033DS-8622tert-butyl 3-formyl-4-hydroxyindolecarboxylateF0766364-Hydroxy-1H-indole-3-carboxaldehyde, N-BOC protected
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 435.8 · 435.8±48.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 8.59 · 8.59±0.40(Predicted)
- 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.
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
Chemistry & industry
Suppliers22 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海思域化工科技有限公司021-34053660 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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