N-(1H-Indol-3-ylmethylene)cyclohexylamine
Basic information
- CAS
93982-60-6- Standard SMILES
C(=NC1CCCCC1)c1c[nH]c2ccccc12- InChIKey
IXWDHVDQGBWHON-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Names & identifiers
- Preferred name
- N-(1H-Indol-3-ylmethylene)cyclohexylamine
- IUPAC
- N-cyclohexyl-1-(1H-indol-3-yl)methanimine
- English name
- N-(1H-indol-3-ylmethylene)cyclohexylamine
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
N-(1H-Indol-3-ylmethylene)cyclohexylamineEINECS 301-249-0N-(1H-Indol-3-ylmethylene)cyclohexanamineDTXSID601269520NSC 81267RefChem:823685DTXCID401700140301-249-093982-60-6N-cyclohexyl-1-(1H-indol-3-yl)methanimineN-((1H-Indol-3-yl)methylene)cyclohexanamineMLS002694419
Show more names
IXWDHVDQGBWHON-YBEGLDIGSA-NCyclohexanamine, N-(1H-indol-3-ylmethylene)-
(E)-N-cyclohexyl-1-(1H-indol-3-yl)methanimineNSC812673-(N-CYCLOHEXYLFORMIMIDOYL)-INDOLECHEMBL1735121IXWDHVDQGBWHON-UHFFFAOYSA-NHMS3089M10NSC-81267AKOS024332192
Database identifiers
- CAS
93982-60-6- PubChem CID
- 96591
- DTXSID
DTXSID601269520- ChEMBL
CHEMBL1735121- EC Number
- 301-249-0
- Nikkaji
- J348.930B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 413.8 · 413.8±18.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 16.04 · 16.04±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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