Basic information
- CAS
69781-15-3- Standard SMILES
CCNC(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
Overview
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Names & identifiers
- Preferred name
- [2-(Ethylamino)-2-methylpropyl] 3-aminobenzoate;sulfuric acid
- IUPAC
- [2-(ethylamino)-2-methylpropyl] 3-aminobenzoate;sulfuric acid
Names & synonyms
NSC37290NSC-37290
Database identifiers
- CAS
69781-15-3- PubChem CID
- 235666
- DTXSID
DTXSID70989974
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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