Basic information
- CAS
59739-05-8- Standard SMILES
CC(C)(C)OC(=O)c1ccsc1N- InChIKey
MMDNHEKRFNBVIM-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- Tert-butyl 2-aminothiophene-3-carboxylate
- IUPAC
- tert-butyl 2-aminothiophene-3-carboxylate
- English name
- 2-Aminothiophene-3-carboxylic acid t-butyl ester
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
Tert-butyl 2-aminothiophene-3-carboxylate59739-05-82-Aminothiophene-3-carboxylic acid t-Butyl esterMFCD030951942-Aminothiophene-3-carboxylic acid t-butylester2-AMINOTHIOPHENE-3-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL4144275DTXSID20445696MMDNHEKRFNBVIM-UHFFFAOYSA-NAKOS006280290AB13558CS-W009181
Show more names
3-Thiophenecarboxylic acid, 2-amino-, 1,1-dimethylethyl ester
DS-3016t-butyl 2-aminothiophene-3-carboxylatet-butyl 2-amino-thiophene-3-carboxylateTert-butyl2-aminothiophene-3-carboxylateSY043040EN300-141255O121101,1-dimethylethyl 2-amino-3-thiophenecarboxylate
Database identifiers
- CAS
59739-05-8- PubChem CID
- 10845692
- DTXSID
DTXSID20445696
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 289.6 · 289.6±20.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 0.08 · 0.08±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers52 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
3 records
Compound notes
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