2-(Octan-2-ylamino)ethyl 4-aminobenzoate;sulfamic acid
Basic information
- CAS
69781-31-3- Standard SMILES
CCCCCCC(C)NCCOC(=O)c1ccc(N)cc1.NS(=O)(=O)O- InChIKey
LUUYXBOUTZPJPJ-UHFFFAOYSA-N- Molecular formula
- C17H31N3O5S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.19844227
Overview
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Names & identifiers
- Preferred name
- 2-(Octan-2-ylamino)ethyl 4-aminobenzoate;sulfamic acid
- IUPAC
- 2-(octan-2-ylamino)ethyl 4-aminobenzoate;sulfamic acid
Names & synonyms
NSC121086NSC-121086
Database identifiers
- CAS
69781-31-3- PubChem CID
- 274802
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
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Compound notes
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