Basic information
- CAS
72042-04-7- Standard SMILES
Cc1cc(NC(=NCCO)NC(C)(C)C)c2ccccc2n1- InChIKey
UNQUVONLVUVHLK-UHFFFAOYSA-N- Molecular formula
- C17H24N4O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.1950114
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-3-(2-hydroxyethyl)-2-(2-methyl-4-quinolyl)-
- IUPAC
- 1-tert-butyl-2-(2-hydroxyethyl)-3-(2-methylquinolin-4-yl)guanidine
Names & synonyms
BRN 559640372042-04-71-tert-Butyl-3-(2-hydroxyethyl)-2-(2-methyl-4-quinolyl)guanidineGUANIDINE, 1-tert-BUTYL-3-(2-HYDROXYETHYL)-2-(2-METHYL-4-QUINOLYL)-DTXSID80222364RefChem:346929DTXCID80144855CHEMBL59787N-tert-Butyl-N''-(2-hydroxyethyl)-N'-(2-methylquinolin-4-yl)guanidine
Database identifiers
- CAS
72042-04-7- PubChem CID
- 51528
- DTXSID
DTXSID80222364- ChEMBL
CHEMBL59787- Nikkaji
- J78.439G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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