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Trigamine

HCID 23271908
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Basic information

CAS
59272-74-1
Standard SMILES
COc1cc2c3c(c1O)C1(CCC(O)CC1)CCC3N(C)CC2
InChIKey
XLVLBRPMJIIOTK-UHFFFAOYSA-N
Molecular formula
C19H27NO3
Average molar mass
317.429 g/mol
Monoisotopic mass
317.19909372

Names & identifiers

Preferred name
Trigamine
IUPAC
5-Methoxy-1-methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,1'-cyclohexane]-4',6-diol
English name
TRIGAMINE
Molecular formula
C19H27NO3
Molecular weight
317.42

Names & synonyms

Trigamine【alkaloid】1,2,3,8,9,9a-Hexahydro-5-methoxy-1-methylspiro[7H-benzo[de]quinoline-7,1'-cyclohexane]-4',6-diolSpiro[7H-benzo[de]quinoline-7,1'-cyclohexane]-4',6-diol, 1,2,3,8,9,9a-hexahydro-5-methoxy-1-methyl-, (1'α,4'β,9aR)- (9CI)

Database identifiers

CAS
59272-74-1
PubChem CID
23271908
DTXSID
DTXSID601018755
Nikkaji
J11.172D

Properties

Physicochemical properties

Boiling point
477.4 · 477.4±45.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
pka
10.44 · 10.44±0.40(Predicted)

Related reactions

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Compound notes

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