Basic information
- CAS
101491-42-3- Standard SMILES
CCCCCCCCCCCCN=C(N)N=C(N)N.O=S(=O)(O)O- InChIKey
ITHRIIVJLOSNTI-UHFFFAOYSA-N- Molecular formula
- C14H33N5O4S
- Average molar mass
- 367.51 g/mol
- Monoisotopic mass
- 367.22532572
Names & identifiers
- Preferred name
- Biguanide, 1-dodecyl-, hemisulfate, hydrate
- IUPAC
- 1-(diaminomethylidene)-2-dodecylguanidine;sulfuric acid
Names & synonyms
BIGUANIDE, 1-DODECYL-, HEMISULFATE, HYDRATEn-Dodecylbiguanide semisulfate hydrateDTXSID50143951101491-42-3RefChem:329457DTXCID6066442Sulfuric acid--N-(diaminomethylidene)-N''-dodecylguanidine (1/1)
Database identifiers
- CAS
101491-42-3- PubChem CID
- 58404
- DTXSID
DTXSID50143951
Properties
Computed structural properties
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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