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4-Chloroisoquinolin-1-amine

4-Chloroisoquinolin-1-amine structure

CAS No:
30598-04-0
Formula:
C9H7ClN2
Chemical Name:
4-Chloroisoquinolin-1-amine
Synonyms:
4-Chloroisoquinolin-1-amine;4-chloroisoquinolin-1(2H)-imine;1-Isoquinolinamine, 4-chloro-

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4-Chloroisoquinolin-1-amine Basic Attributes

Molecular Weight：

178.62

Exact Mass：

178.0297759 g/mol

NSC Number：

338288

DSSTox ID：

DTXSID60318976

Characteristics

PSA：

38.9 Å²

Density：

1.363±0.06 g/cm3

Melting Point：

134-135 °C(Solv: benzene (71-43-2))

Boiling Point：

346.9±27.0 °C(Predicted)

PKA：

5.42±0.31

Computed Properties

Molecular Weight:178.62
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:178.0297759
Monoisotopic Mass:178.0297759
Topological Polar Surface Area:38.9
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloroisoquinolin-1-amine

Basic Attributes
Characteristics
Computed Properties

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