Basic information
- CAS
113143-36-5- Standard SMILES
COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1OC- InChIKey
HFTAGRNJCXTLMN-RGVLZGJSSA-N- Molecular formula
- C18H17N3O3
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.12699141
Names & identifiers
- Preferred name
- N'-(1H-Indol-3-ylmethylene)-3,4-dimethoxybenzohydrazide
- IUPAC
- N-[(E)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzamide
- English name
- N'-[(1Z)-(1H-indol-3-yl)methylidene]-3,4-dimethoxybenzohydrazide
- Molecular formula
- C18H17N3O3
- Molecular weight
- 323.35
Names & synonyms
113143-36-5N'-(1H-INDOL-3-YLMETHYLENE)-3,4-DIMETHOXYBENZOHYDRAZIDERefChem:820042670-058-5N'-((1H-Indol-3-yl)methylene)-3,4-dimethoxybenzohydrazideAKOS001064595Z49723658N'-[(1Z)-(1H-indol-3-yl)methylidene]-3,4-dimethoxybenzohydrazide
Database identifiers
- CAS
113143-36-5- PubChem CID
- 135802485
- EC Number
- 670-058-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Density
- 1.246 · 1.246±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12 · 12.000±0.46(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H319-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H335-H319-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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