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Product No: BZ8331

1-(6-amino-1,3-dioxaindan-5-yl)ethan-1-one, 95%

Name: 1-(6-amino-1,3-dioxaindan-5-yl)ethan-1-one
Brand: Chempure

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CAS Number

28657-75-2

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About this item

IUPAC name	1-(6-amino-1,3-benzodioxol-5-yl)ethanone
canonical smiles	CC(=O)C1=CC2=C(C=C1N)OCO2
inchi	InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3
inchi key	DWTHYSZSRJOMSC-UHFFFAOYSA-N
molecular formula	C9H9NO3
synonyms	28657-75-2 1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone 6'-Amino-3',4'-(methylenedioxy)acetophenone 1-(6-amino-1,3-benzodioxol-5-yl)ethanone 6-Amino-3,4-methylenedioxyacetophenone

Computed Properties

Molecular Weight:	179.17 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	179.058243149 g/mol
Monoisotopic Mass:	179.058243149 g/mol
Topological Polar Surface Area:	61.6 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	219
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

3,4-Methylenedioxyphenol

Piperonal

Isosafrole

Piperonylic acid

Piperonyl alcohol

1'-Hydroxysafrole

5-Nitrobenzotriazole

4-Methoxy-2-methylaniline

2,5-Dimethoxyaniline

5-Methyl-1H-benzotriazole

5-Chloro-2,4-dimethoxyaniline

3',4'-(Methylenedioxy)acetophenone

Euparin

1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone

1,3-Benzodioxol-5-amine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: BZ8331

1-(6-amino-1,3-dioxaindan-5-yl)ethan-1-one, 95%

Product No: BZ8331

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

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Product No: BZ8331

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?