5,6-Dihydrophenanthridine

HCID 219966
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Basic information

CAS
27799-79-7
Standard SMILES
c1ccc2c(c1)CNc1ccccc1-2
InChIKey
YQQRKUQVFWYEPV-UHFFFAOYSA-N
Molecular formula
C13H11N
Average molar mass
181.23 g/mol
Monoisotopic mass
181.08914935

Names & identifiers

Preferred name
5,6-Dihydrophenanthridine
IUPAC
5,6-dihydrophenanthridine
English name
5,6-Dihydrophenanthridine
Molecular formula
C13H11N
Molecular weight
181.23

Names & synonyms

5,6-Dihydrophenanthridine27799-79-7Dihydrophenanthridine5,6-dihydro-phenanthridinePhenanthridine, 5,6-dihydro-SCHEMBL301628SCHEMBL1318581SCHEMBL1383598SCHEMBL2087461CHEMBL2062586SCHEMBL29791568DTXSID10277362
Show more names
AKOS026729532AB65411CS-0271147EN300-42799AB00997254-01

Database identifiers

CAS
27799-79-7
PubChem CID
219966
DTXSID
DTXSID10277362
ChEMBL
CHEMBL2062586
Nikkaji
J101.903A

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
125 °C · 125 °C
Boiling point
370.7 · 370.7±12.0 °C(Predicted)
Density
1.117 · 1.117±0.06 g/cm3(Predicted)
pka
3.52 · 3.52±0.20(Predicted)

Chemistry & industry

Suppliers1 total

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

Related reactions

28 records
New reaction record

Compound notes

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