N-(Diaminomethylidene)-N''-{4-[(2-ethylhexyl)oxy]phenyl}guanidine
Basic information
- CAS
2831-29-0- Standard SMILES
CCCCC(CC)COc1ccc(N=C(N)N=C(N)N)cc1- InChIKey
GGWCYHGYFZJDHK-UHFFFAOYSA-N- Molecular formula
- C16H27N5O
- Average molar mass
- 305.42 g/mol
- Monoisotopic mass
- 305.2215605
Names & identifiers
- Preferred name
- N-(Diaminomethylidene)-N''-{4-[(2-ethylhexyl)oxy]phenyl}guanidine
- IUPAC
- 1-(diaminomethylidene)-2-[4-(2-ethylhexoxy)phenyl]guanidine
Names & synonyms
2831-29-0NSC191564DTXSID90307474N-(DIAMINOMETHYLIDENE)-N''-{4-[(2-ETHYLHEXYL)OXY]PHENYL}GUANIDINENSC-191564Imidodicarbonimidic diamide, N-[4-[(2-ethylhexyl)oxy]phenyl]
Database identifiers
- CAS
2831-29-0- PubChem CID
- 303399
- DTXSID
DTXSID90307474
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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