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N-DESETHYLAMODIAQUINE

N-DESETHYLAMODIAQUINE structure

CAS No:
37672-04-1
Formula:
C16H14ClN3O
Chemical Name:
N-DESETHYLAMODIAQUINE
Synonyms:
N-DESETHYL AMODIAQUINE;Monodesethylamodiaquine;2-[(Ethylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol;4-[(7-Chloro-4-quinolyl)amino]-α-(ethylamino)-o-cresol;AMQM;Phenol,2-(aMinoMethyl)-4-[(7-chloro-4-quinolinyl)aMino]-;N-DidesethylaModiaquine;2-(AMinoMethyl)-4-((7-chloroquinolin-4-yl)aMino)phenol

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N-DESETHYLAMODIAQUINE Basic Attributes

Molecular Weight：

299.75

Exact Mass：

299.0825398 g/mol

DSSTox ID：

DTXSID00191088

Characteristics

PSA：

71.2 Å²

Density：

1.406±0.06 g/cm3

Melting Point：

168-174°C

Boiling Point：

481.0±45.0 °C(Predicted)

PKA：

8.85±0.50

N-DESETHYLAMODIAQUINE Use and Manufacturing

A metabolite of Amodiaquine, an antimalarial

Computed Properties

Molecular Weight:299.75
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:299.0825398
Monoisotopic Mass:299.0825398
Topological Polar Surface Area:71.2
Heavy Atom Count:21
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-DESETHYLAMODIAQUINE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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