2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
Basic information
- CAS
5396-98-5- Standard SMILES
c1ccc(C2=NC3(CCCCC3)N=C2c2ccccc2)cc1- InChIKey
GTITYRBBAAHJEH-UHFFFAOYSA-N- Molecular formula
- C20H20N2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.16264865
Names & identifiers
- Preferred name
- 2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
- IUPAC
- 2,3-diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
- English name
- 2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
- Molecular formula
- C20H20N2
- Molecular weight
- 288.39
Names & synonyms
2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene5396-98-52,3-Diphenyl-1,4-diazaspiro(4.5)deca-1,3-dieneV7S4SJ2U5ANSC 4416NSC-4416DTXSID702022511,4-DIAZASPIRO(4.5)DECA-1,3-DIENE, 2,3-DIPHENYL-RefChem:442577DTXCID70124742611-073-9NSC4416
Show more names
1,4-Diazaspiro[4.5]deca-1,3-diene, 2,3-diphenyl-2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene 99%
UNII-V7S4SJ2U5Aghl.PD_Mitscher_leg0.522SCHEMBL1639791GTITYRBBAAHJEH-UHFFFAOYSA-NMFCD00075568STK372042AKOS005446482SS-5175
Database identifiers
- CAS
5396-98-5- PubChem CID
- 407360
- DTXSID
DTXSID70202251- UNII
- V7S4SJ2U5A
- EC Number
- 611-073-9
- Nikkaji
- J2.908.256A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 106 · 106-108 °C(lit.)
- FDA UNII
- 7 S4SJ2U5A · V7S4SJ2U5A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 67 reports by companies from 3 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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