N-(3-Anilino-2-propenylidene)aniline
Basic information
- CAS
4485-89-6- Standard SMILES
C(=CNc1ccccc1)C=Nc1ccccc1- InChIKey
ZFYNTCNECVPHDZ-UHFFFAOYSA-N- Molecular formula
- C15H14N2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.11569846
Names & identifiers
- Preferred name
- N-(3-Anilino-2-propenylidene)aniline
- IUPAC
- N-(3-phenyliminoprop-1-enyl)aniline
Names & synonyms
N-(3-anilino-2-propenylidene)anilineDTXSID10892074RefChem:361246DTXCID8010650454485-89-6NCIOpen2_005421SCHEMBL136513Benzenamine, N-[3-(phenylamino)-2-propenylidene]-N-(3-phenylamino-2-propenylidene)anilineDB-070595N-[3-(phenylimino)prop-1-en-1-yl]aniline
Database identifiers
- CAS
4485-89-6- PubChem CID
- 119877
- DTXSID
DTXSID10892074- EC Number
- 661-361-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Collision Cross Section158.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4051958]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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