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N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE

N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE structure

CAS No:
341953-72-8
Formula:
C11H10N2O3
Chemical Name:
N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE
Synonyms:
FA-0614;N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-ethanamide;N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE;Oprea1_109886;Acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-

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N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE Basic Attributes

Molecular Weight：

218.21

Exact Mass：

218.06914219

DSSTox ID：

DTXSID70402133

Characteristics

Density：

1.316±0.06 g/cm3

Melting Point：

121-123

Boiling Point：

498.2±45.0 °C(Predicted)

PKA：

5.39±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:218.21
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:218.06914219
Monoisotopic Mass:218.06914219
Topological Polar Surface Area:71.4
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(1,3-BENZODIOXOL-5-YLMETHYL)-2-CYANOACETAMIDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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