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N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE

N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE structure

CAS No:
79185-47-0
Formula:
C14H12ClNO2
Chemical Name:
N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE
Synonyms:
N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-(4-CHLOROPHENYL)AMINE;N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE;1,3-Benzodioxole-5-methanamine, N-(4-chlorophenyl)-

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N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE Basic Attributes

Molecular Weight：

261.7

Exact Mass：

261.0556563 g/mol

Characteristics

PSA：

30.5 Å²

Density：

1.357±0.06 g/cm3

Melting Point：

89-90 °C(Solv: ethanol (64-17-5))

Boiling Point：

416.7±40.0 °C(Predicted)

PKA：

3.36±0.50

Computed Properties

Molecular Weight:261.70
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:261.0556563
Monoisotopic Mass:261.0556563
Topological Polar Surface Area:30.5
Heavy Atom Count:18
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-CHLOROANILINE

Basic Attributes
Characteristics
Computed Properties

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