Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
68298-97-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)O)cc1.NCCO- InChIKey
GMLCLKMTJFFVMS-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;4-tert-butylbenzoic acid
Names & synonyms
68298-97-5p-tert-Butylbenzoic acid, monoethanolamine saltEINECS 269-588-6DTXSID4071396RefChem:118425DTXCID4045848N2ATZ5WWJ7p-tert-Butylbenzoic acid, compound with 2-aminoethanol (1:1)p-tert-Butylbenzoic acid monoethanolamine salt4-tert-Butylbenzoic acid--2-aminoethan-1-ol (1/1)Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol
Database identifiers
- CAS
68298-97-5、90218-89-6- PubChem CID
- 110004
- DTXSID
DTXSID4071396- UNII
- N2ATZ5WWJ7
- EC Number
- 269-588-6
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2-aminoethanol (1:1): ACTIVE
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Related reactions
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Compound notes
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