Basic information
- CAS
75790-47-5- Standard SMILES
O=C(O)C1(NO)C2CC3CC(C2)CC1C3- InChIKey
KASKIUBUVDMTCD-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- N-Hydroxyadamantanine
- IUPAC
- 2-(hydroxyamino)adamantane-2-carboxylic acid
- English name
- N-hydroxyadamantanine
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
N-Hydroxyadamantanine75790-47-5DTXSID90226696Tricyclo(3.3.1.1(3,7))decane-2-carboxylic acid, 2-(hydroxyamino)-RefChem:163532DTXCID201491872-(hydroxyamino)adamantane-2-carboxylic acidTricyclo[3.3.1.13,7]decane-2-carboxylic acid, 2-(hydroxyamino)-
Database identifiers
- CAS
75790-47-5- PubChem CID
- 64499
- DTXSID
DTXSID90226696
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 410.2 · 410.2±47.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 2.08 · 2.08±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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