1-(Diaminomethylidene)-2-[(3,4-dimethoxyphenyl)methyl]guanidine
Basic information
- CAS
802844-63-9- Standard SMILES
COc1ccc(CN=C(N)N=C(N)N)cc1OC- InChIKey
SKZRMFFZOJHVNU-UHFFFAOYSA-N- Molecular formula
- C11H17N5O2
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.1382248
Names & identifiers
- Preferred name
- 1-(Diaminomethylidene)-2-[(3,4-dimethoxyphenyl)methyl]guanidine
- IUPAC
- 1-(diaminomethylidene)-2-[(3,4-dimethoxyphenyl)methyl]guanidine
Names & synonyms
CHEMBL4102503CHEMBL4117579BDBM50227838NSC756971AKOS021357510NSC-756971802844-63-9
Database identifiers
- CAS
802844-63-9- PubChem CID
- 83036736
- ChEMBL
CHEMBL4102503、CHEMBL4117579
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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