Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
Basic information
- CAS
69781-15-3- Standard SMILES
CC[NH2+]C(C)(C)COC(=O)c1cccc(N)c1.O=S(=O)([O-])O- InChIKey
XJAALXCZVFIONJ-UHFFFAOYSA-N- Molecular formula
- C13H22N2O6S
- Average molar mass
- 334.39 g/mol
- Monoisotopic mass
- 334.1198576
Names & identifiers
- Preferred name
- Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
- IUPAC
- [1-(3-aminobenzoyl)oxy-2-methylpropan-2-yl]-ethylazanium;hydrogen sulfate
Names & synonyms
69781-15-3DTXSID70989974Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)RefChem:1099255DTXCID501417081m-Aminobenzoic acid (2-(ethylamino)-2-methyl)propyl ester hydrogen sulfateBENZOIC ACID, m-AMINO-, (2-(ETHYLAMINO)-2-METHYL)PROPYL ESTER, HYDROGEN SULFATE
Database identifiers
- CAS
69781-15-3- PubChem CID
- 50735
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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