Basic information
- CAS
3442-83-9- Standard SMILES
Cl.N=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1- InChIKey
SPJSTBGXLCMAJN-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.1080262
Names & identifiers
- Preferred name
- Benzenamine, 4-((4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl)-, hydrochloride (1:1)
- IUPAC
- 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline;hydrochloride
- English name
- 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)benzyl]aniline monohydrochloride
- Molecular formula
- C19H16N2.ClH
- Molecular weight
- 308.81
Names & synonyms
Doebner's Violet3442-83-9EINECS 222-353-1Benzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-, monohydrochlorideBenzenamine, 4-((4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl)-, hydrochloride (1:1)Benzenamine, 4-((4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl)-, monohydrochlorideBenzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-, hydrochloride (1:1)RefChem:561820Z8WYE573RLDTXSID9063031SPJSTBGXLCMAJN-UHFFFAOYSA-N4-((4-Iminocyclohexa-2,5-dien-1-ylidene)benzyl)aniline monohydrochloride
Show more names
4-[(4-iminocyclohexa-2,5-dien-1-ylidene)benzyl]aniline monohydrochloride4-[(4-Imino-2,5-cyclohexadien-1-ylidene)(phenyl)methyl]aniline hydrochlorid
NS000481744-[(4-Iminocyclohexa-2,5-dien-1-ylidene)(phenyl)methyl]aniline--hydrogen chloride (1/1)Benzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-, hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-, monohydrochloride (3442-83-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-, hydrochloride (1:1): INACTIVE
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…