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N,N-Diethyl-1,2,3,4-tetrahydro-9-acridinecarboxamide

HCID 23498
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Basic information

CAS
7101-57-7
Standard SMILES
CCN(CC)C(=O)c1c2c(nc3ccccc13)CCCC2
InChIKey
BODGAMBTBSTNOV-UHFFFAOYSA-N
Molecular formula
C18H22N2O
Average molar mass
282.4 g/mol
Monoisotopic mass
282.17321333

Names & identifiers

Preferred name
N,N-Diethyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
IUPAC
N,N-diethyl-1,2,3,4-tetrahydroacridine-9-carboxamide
English name
N,N-diethyl-5,6,7,8-tetrahydroacridine-9-carboxamide
Molecular formula
C18H22N2O
Molecular weight
0

Names & synonyms

7101-57-7ACRIDINE-9-CARBOXAMIDE, 1,2,3,4-TETRAHYDRO-N,N-DIETHYL-DTXSID60221239RefChem:1090417N,N-Diethyl-1,2,3,4-tetrahydro-9-acridinecarboxamideDTXCID10143730N,N-diethyl-1,2,3,4-tetrahydroacridine-9-carboxamideBRN 0238365Ketone, diethylamino(1,2,3,4-tetrahydro-9-acridinyl)Acridine-9-carboxamide, N,N-diethyl-1,2,3,4-tetrahydro-Oprea1_000746Oprea1_422511
Show more names
N,N-diethyl-5,6,7,8-tetrahydroacridine-9-carboxamide1,2,3,4-tetrahydro-acridine-9-carboxylic acid diethylamide
IFLab1_004990orb1986611HMS1426C18MFCD01673594AKOS003632152EU-0047365T29625O=C(C1=C(CCCC2)C2=NC3=CC=CC=C31)N(CC)CC

Database identifiers

CAS
7101-57-7
PubChem CID
23498
DTXSID
DTXSID60221239
Nikkaji
J55.095G

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
366

Physicochemical properties

Boiling point
424.99 °C · 424.99°C (rough estimate)
Density
1.0741 · 1.0741 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)

Related reactions

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Compound notes

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