amantadine-N-mustard
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Basic information
- CAS
5592-71-2- Standard SMILES
ClCCN(CCCl)C12CC3CC(CC(C3)C1)C2- InChIKey
XXLZNPXWCIMLFS-UHFFFAOYSA-N- Molecular formula
- C14H23Cl2N
- Average molar mass
- 276.2 g/mol
- Monoisotopic mass
- 275.1207551
Overview
structure given in first source
Names & identifiers
- Preferred name
- amantadine-N-mustard
- IUPAC
- N,N-bis(2-chloroethyl)adamantan-1-amine
- English name
- amantadine-N-mustard
- Molecular formula
- C14H23Cl2N
- Molecular weight
- 276.25
Names & synonyms
Amantadine-N-mustard5592-71-26AN2589XOCN,N-Bis(2-chloroethyl)tricyclo(3.3.1.13,7)decan-1-amineDTXSID30204519RefChem:111824DTXCID10127010N,N-bis(2-chloroethyl)adamantan-1-amineUNII-6AN2589XOCQ27264418Tricyclo[3.3.1.1]decan-1-amine, N,N-bis(2-chloroethyl)-Tricyclo(3.3.1.13,7)decan-1-amine, N,N-bis(2-chloroethyl)-
Show more names
Tricyclo[3.3.1.13,7]decan-1-amine, N,N-bis(2-chloroethyl)-
Database identifiers
- CAS
5592-71-2- PubChem CID
- 124109
- DTXSID
DTXSID30204519- UNII
- 6AN2589XOC
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- FDA UNII
- 6 AN2589XOC · 6AN2589XOC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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