N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
Basic information
- CAS
300697-12-5- Standard SMILES
NC1=NC2(CCCCC2)N=C(Nc2ccccc2)N1- InChIKey
STHMLNPMOYGEJM-UHFFFAOYSA-N- Molecular formula
- C14H19N5
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.16404563
Names & identifiers
- Preferred name
- N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
- IUPAC
- 4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
- English name
- N2-PHENYL-1,3,5-TRIAZASPIRO[5.5]UNDECA-1,3-DIENE-2,4-DIAMINE
- Molecular formula
- C14H19N5
- Molecular weight
- 257.33
Names & synonyms
300697-12-5N2-PHENYL-1,3,5-TRIAZASPIRO[5.5]UNDECA-1,3-DIENE-2,4-DIAMINEN2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamineRefChem:831539998-659-0N~2~-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamineCHEMBL37708374-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamineN2-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamineSCHEMBL171967231,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, N4-phenyl-2-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Show more names
N4-Phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
BDBM50467969MFCD00723476AKOS002345491AKOS003745881AKOS027427087EBC-609864EBC-649094SB73517
Database identifiers
- CAS
300697-12-5- PubChem CID
- 732268
- ChEMBL
CHEMBL3770837- EC Number
- 998-659-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 418.6 · 418.6±28.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 12.07 · 12.07±0.20(Predicted)
- Appearance
- White to yellow Solid
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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