Carbol-fuchsin free base
Basic information
- CAS
682730-74-1- Standard SMILES
CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)c(C)c2)C=CC1=N- InChIKey
RJAMLLTWCQCKGI-UHFFFAOYSA-N- Molecular formula
- C21H21N3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.17354768
Names & identifiers
- Preferred name
- Carbol-fuchsin free base
- IUPAC
- 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Names & synonyms
Carbol-fuchsin free baseUNII-Y755U7UT9CY755U7UT9CBenzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis(2-methyl-682730-74-1SCHEMBL17085036SCHEMBL29362751Q27159816
Database identifiers
- CAS
682730-74-1- PubChem CID
- 62808
- UNII
- Y755U7UT9C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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