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N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine structure

CAS No:
355816-47-6
Formula:
C16H17NO2S
Chemical Name:
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

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N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine Basic Attributes

Molecular Weight：

287.37700

Exact Mass：

287.09799996 g/mol

DSSTox ID：

DTXSID00353366

HScode：

2932999099

Characteristics

PSA：

55.79000

XLogP3：

3.81790

Density：

1.25g/cm3

Boiling Point：

429.9ºC at 760 mmHg

Flash Point：

213.8ºC

Refractive Index：

1.642

Computed Properties

Molecular Weight:287.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:287.09799996
Monoisotopic Mass:287.09799996
Topological Polar Surface Area:55.8
Heavy Atom Count:20
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine

Basic Attributes
Characteristics
Computed Properties

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