1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane

HCID 20012
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Basic information

CAS
18278-96-1
Standard SMILES
ClC=CC[N+]12CN3CN(CN(C3)C1)C2
InChIKey
LDLCEGCJYSDJLX-UHFFFAOYSA-N
Molecular formula
C9H16ClN4+
Average molar mass
215.7 g/mol
Monoisotopic mass
215.10580061

Names & identifiers

Preferred name
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane
IUPAC
1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane

Names & synonyms

1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane18278-96-1SCHEMBL238149DTXSID208598501-(3-chloroallyl)-3, 5, 7-triaza-1-azoniaadamantane1-(3-Chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium

Database identifiers

CAS
18278-96-1
PubChem CID
20012
DTXSID
DTXSID20859850

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
9.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

1 records
New reaction record

Compound notes

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