{[Imino(3-methoxyanilino)methyl]amino}methanimidamide
Basic information
- CAS
68216-08-0- Standard SMILES
COc1cccc(N=C(N)N=C(N)N)c1- InChIKey
SJFWTWHMHDOKLE-UHFFFAOYSA-N- Molecular formula
- C9H13N5O
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.11201006
Names & identifiers
- Preferred name
- {[Imino(3-methoxyanilino)methyl]amino}methanimidamide
- IUPAC
- 1-(diaminomethylidene)-2-(3-methoxyphenyl)guanidine
Names & synonyms
68216-08-0{[imino(3-methoxyanilino)methyl]amino}methanimidamideN-(3-Methoxyphenyl)triimidodicarbonic diamideNSC125208MLS000769488SCHEMBL4110126CHEMBL1337198DTXSID409877251-CARBAMIMIDAMIDO-N-(3-METHOXYPHENYL)METHANIMIDAMIDEHMS2789C12STK101198AKOS002224776
Show more names
NSC-125208SMR000434201ST50106262N-(3-methoxyphenyl)imidodicarbonimidic diamideamino{imino[(3-methoxyphenyl)amino]methyl}carboxamidine
Database identifiers
- CAS
68216-08-0- PubChem CID
- 276773
- DTXSID
DTXSID40987725- ChEMBL
CHEMBL1337198
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Solubility25.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…