Dodecahydro-1,4,7,9b-tetraazaphenalene
Basic information
- CAS
10553-85-2- Standard SMILES
C1CC2NCCC3NCCC(N1)N32- InChIKey
ZNJURNUHQCGRLX-UHFFFAOYSA-N- Molecular formula
- C9H18N4
- Average molar mass
- 182.27 g/mol
- Monoisotopic mass
- 182.15314659
Names & identifiers
- Preferred name
- Dodecahydro-1,4,7,9b-tetraazaphenalene
- IUPAC
- 2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
- English name
- Dodecahydro-1,4,7,9b-tetraazophenalene
- Molecular formula
- C9H18N4
- Molecular weight
- 182.27
Names & synonyms
10553-85-2Dodecahydro-1,4,7,9b-tetraazaphenalene1,4,7,9B-Tetraazaphenalene, dodecahydro-DTXSID00909584RefChem:1083943DTXCID401338646DODECAHYDRO-1,4,7,9B-TETRAAZOPHENALENE2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecaneMLS000737090NSC 81462Dodecahydro-1,4,7,9b-tetrazaphenalinBRN 0607072
Show more names
7,9b-tetraazaphenalene,dodecahydro-4
NSC81462SCHEMBL3458049CHEMBL1409645HMS2885J15Dodecahydro-1,7,9b-tetrazaphenalinCCG-40462NSC-81462Dodecahydro-1,7,9b-tetraazaphenalene
Database identifiers
- CAS
10553-85-2- PubChem CID
- 98134
- DTXSID
DTXSID00909584- ChEMBL
CHEMBL1409645- EC Number
- 622-476-4
- Nikkaji
- J130.130F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 118 · 118-120 °C(Solv: carbon tetrachloride (56-23-5))
- Boiling point
- 110 °C · 110 °C(Press: 0.1 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 9.27 · 9.27±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- 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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