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(Q82951343)
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English
4b,5,6,7,8,9,9a,10-Octahydro-6,9-epiminobenzo[a]azulene--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₁₄H₁₈ClN
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
235.112777256
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈ClN
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cl.c1ccc2c(c1)CC1C3CCC(CC21)N3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cl.c1ccc2c(c1)C[C@@H]1C3CCC(C[C@H]21)N3
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H17N.ClH/c1-2-4-11-9(3-1)7-13-12(11)8-10-5-6-14(13)15-10;/h1-4,10,12-15H,5-8H2;1H/t10?,12-,13+,14?;/m1./s1
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InChIKey
HOMPDPKUQHXIBU-FGJUJJAKSA-N
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CAS Registry Number
53758-06-8
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DSSTox substance ID
DTXSID70968527
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DSSTOX compound identifier
DTXCID001396101
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