Basic information
- CAS
59177-67-2- Standard SMILES
Br.Br.CN1CCN(CC23CC4CC(CC(C4)C2Br)C3)CC1- InChIKey
KETPWUGIGJJRHJ-UHFFFAOYSA-N- Molecular formula
- C16H29Br3N2
- Average molar mass
- 489.1 g/mol
- Monoisotopic mass
- 485.98809
Names & identifiers
- Preferred name
- Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide
- IUPAC
- 1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine;dihydrobromide
- English name
- 1-[(2-bromo-1-adamantyl)methyl]-4-methyl-piperazine dihydrobromide
- Molecular formula
- C16H29Br3N2
- Molecular weight
- 0
Names & synonyms
59177-67-22-Bromo-1-(4-methyl-1-piperazinyl)methyladamantane dihydrobromideADAMANTANE, 2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYL-, DIHYDROBROMIDERefChem:3172371-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine dihydrobromideDTXSID90974605DB-3631351-[(2-BROMO-1-ADAMANTYL)METHYL]-4-METHYL-PIPERAZINE DIHYDROBROMIDE1-[(2-Bromoadamantan-1-yl)methyl]-4-methylpiperazine--hydrogen bromide (1/2)
Database identifiers
- CAS
59177-67-2- PubChem CID
- 42969
- DTXSID
DTXSID90974605
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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