(2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
Basic information
- CAS
4347-99-3- Standard SMILES
CCCC[C@@H](CC)C(=O)O.CN(C)C(=N)N(C)C- InChIKey
IRQKNGBRWKGEOJ-OGFXRTJISA-N- Molecular formula
- C13H29N3O2
- Average molar mass
- 259.39 g/mol
- Monoisotopic mass
- 259.22597718
Overview
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Names & identifiers
- Preferred name
- (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
- IUPAC
- (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
Names & synonyms
2-Ethylhexanoic acid, compound with 1,1,3,3-tetramethylguanidine (1:1)
Database identifiers
- CAS
4347-99-3- PubChem CID
- 78051
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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