Basic information
- CAS
54564-31-7- Standard SMILES
O=[N+]([O-])C1C2CC3CC(C2)CC1C3- InChIKey
ZFSCSQSQXFIKKH-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
RN from Toxlit; inhibits lymphocyte proliferation
Names & identifiers
- Preferred name
- 2-Nitroadamantane
- IUPAC
- 2-nitroadamantane
- English name
- 2-nitroadamantane
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
2-Nitroadamantane54564-31-7DTXSID20202988RefChem:88701DTXCID50125479Tricyclo[3.3.1.13,7]decane,2-nitro-2-nitrotricyclo[3.3.1.1~3,7~]decaneTricyclo[3.3.1.1(3,7)]decane, 2-nitro-Tricyclo(3.3.1.1(3,7))decane, 2-nitro-2-Nitroadamantane #2-Nitrotricyclo(3.3.1.1(3,7))decaneSCHEMBL1237931
Show more names
Tricyclo[3.3.1.13,7]decane, 2-nitro-
SCHEMBL6280598STL406636AKOS025251372NS00095983AG-670/20479011
Database identifiers
- CAS
54564-31-7- PubChem CID
- 64386
- DTXSID
DTXSID20202988- Nikkaji
- J132.962F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
徐州博康化学科技股份有限公司051686297676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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