Basic information
- CAS
1233-49-4- Standard SMILES
C(=NN=Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12- InChIKey
OUAMYDYQMNKPLV-UHFFFAOYSA-N- Molecular formula
- C18H14N4
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.12184646
Overview
a fluoride probe; structure in first source
Names & identifiers
- Preferred name
- 1,4-Bis(3-indolyl)-2,3-diaza-1,3-butadiene
- IUPAC
- 1-(1H-indol-3-yl)-N-(1H-indol-3-ylmethylideneamino)methanimine
- English name
- Indole-3-aldehyde azine
- Molecular formula
- C18H14N4
- Molecular weight
- 286.33
Names & synonyms
1,4-bis(3-indolyl)-2,3-diaza-1,3-butadieneRefChem:790966INDOLE-3-CARBOXALDEHYDE AZINE1-(1H-Indol-3-yl)-N-(1H-indol-3-ylmethylideneamino)methanimineMLS003106559SCHEMBL3349880CHEMBL1906165DTXSID509244443-[(E)-[(2E)-2-[(1H-indol-3-yl)methylidene]hydrazin-1-ylidene]methyl]-1H-indoleAKOS024332277SMR001821456ST50545499
Show more names
Bisdiketohydrindenbis-indan-1,3-dioneIndol-3-aldehyd-azin3-IndolecarboxaldazineIndole-3-aldehyde azinePropyl-dimethylol-phosphinBis-(1.3-dioxo-hydrindyl-(2))Di(hydroxymethyl)propylphosphinpropylphosphanediyl-bis-methanol
(1Z,3E)-1,4-diindol-3-yl-2,3-diazabuta-1,3-diene3,3'-(Hydrazinediylidenedimethanylylidene)di(1H-indole)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 310 · 310-312 °C
- Boiling point
- 549.7 · 549.7±38.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 15.45 · 15.45±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Dr. Silviu Pharmachem Pvt. Ltd+91 (20) 6510-4672 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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