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Basic information
- CAS
69049-86-1- Standard SMILES
CC(C)(C)NC(=O)C1CCCCC1C(=O)O- InChIKey
MDYLQMLQBRWTPP-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.304 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- 2-(tert-butylcarbamoyl)cyclohexanecarboxylic acid
- IUPAC
- 2-(tert-Butylcarbamoyl)cyclohexane-1-carboxylic acid
- English name
- CHEMBRDG-BB 7259223
- Molecular formula
- C12H21NO3
- Molecular weight
- 227.3
Names & synonyms
CHEMBRDG-BB 7259223OTAVA-BB 71144711422-(Tert-butylcarbamoyl)cyclohexane-1-carboxylic acid2-[(TERT-BUTYLAMINO)CARBONYL]CYCLOHEXANECARBOXYLIC ACIDCyclohexanecarboxylic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-2-[(tert-butylamino)carbonyl]cyclohexanecarboxylic acid(SALTDATA: FREE)
Database identifiers
- CAS
69049-86-1- PubChem CID
- 3933765
- DTXSID
DTXSID30398063
Properties
Physicochemical properties
- Boiling point
- 432.5 · 432.5±34.0 °C(Predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司18455579438
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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