Basic information
- CAS
53263-89-1- Standard SMILES
NC(=O)C12CC3CC(CC(Br)(C3)C1)C2- InChIKey
SUSXMUKHFSYNND-UHFFFAOYSA-N- Molecular formula
- C11H16BrNO
- Average molar mass
- 258.15 g/mol
- Monoisotopic mass
- 257.04153
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, 3-bromo-
- IUPAC
- 3-bromoadamantane-1-carboxamide
- English name
- 3-bromoadamantane-1-carboxamide
- Molecular formula
- C11H16BrNO
- Molecular weight
- 258.15
Names & synonyms
53263-89-1Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, 3-bromo-RefChem:11003603-Bromoadamantane-1-carboxamide3-Bromo-1-adamantanecarboxamideNSC6325473-bromotricyclo[3.3.1.13,7]decane-1-carboxamideBRN 22646331-Bromoadamantane-3-carboxylic acid amide3-Bromotricyclo(3.3.1.1(sup 3,7))decane-1-carboxamideSCHEMBL5811955CHEMBL1978282
Show more names
1-bromo-3-carboxamidoadamantane3-BROMO-ADAMANTANE-1-CARBOXYLIC ACID AMIDE3-Bromo-tricyclo[3.3.1.13,7]decane-1-carboxamideTricyclo[3.3.1.13,7]decane-1-carboxamide, 3-bromo-
DTXSID00967841ALBB-0354033-Bromoadamantane-1-carboximidic acidAKOS015917961CCG-247255NSC-632547NCI60_010660DB-003026
Database identifiers
- CAS
53263-89-1- PubChem CID
- 64374
- DTXSID
DTXSID00967841- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 389.2 · 389.2±21.0 °C(Predicted)
- Density
- 1.596 · 1.596
- pka
- 16.6 · 16.60±0.40(Predicted)
Chemistry & industry
Suppliers2 total
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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