N-Dodecylguanidine acid phthalate
Basic information
- CAS
5835-86-9- Standard SMILES
CCCCCCCCCCCCN=C(N)N.O=C(O)c1ccccc1C(=O)O- InChIKey
GMEJIJCFEDISEL-UHFFFAOYSA-N- Molecular formula
- C21H35N3O4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.26275661
Names & identifiers
- Preferred name
- N-Dodecylguanidine acid phthalate
- IUPAC
- 2-dodecylguanidine;phthalic acid
Names & synonyms
N-DODECYLGUANIDINE ACID PHTHALATEZ5J1GHQ53J5835-86-9UNII-Z5J1GHQ53JDODECYLGUANIDINE PHTHALATESCHEMBL11120092Q27295021
Database identifiers
- CAS
5835-86-9- PubChem CID
- 22093
- UNII
- Z5J1GHQ53J
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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