Completing data — usually done within a minute
Basic information
- CAS
1636-28-8- Standard SMILES
CC(C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1- InChIKey
QALATMOYKCXAIM-UHFFFAOYSA-N- Molecular formula
- C9H16N2O4
- Average molar mass
- 216.23 g/mol
Names & identifiers
- Preferred name
- 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane
- IUPAC
- 1-nitro-1-(2-nitropropan-2-yl)cyclohexane
Names & synonyms
1-(1-methyl-1-nitroethyl)-1-nitrocyclohexaneRefChem:4197731636-28-8659-763-91-nitro-1-(2-nitropropan-2-yl)cyclohexaneSCHEMBL11800674QALATMOYKCXAIM-UHFFFAOYSA-NAKOS024340647ST50557535
Database identifiers
- CAS
1636-28-8- PubChem CID
- 3592835
- EC Number
- 659-763-9
- Nikkaji
- J1.632.744A
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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