AG01DWCJ

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CAS Number	33542-90-4
Catalog Number	AG01DWCJ(AGN-PC-00OLH7)
Chemical Name	2-(1,3-dioxaindan-4-yl)ethan-1-amine
IUPAC Name	2-(1,3-benzodioxol-4-yl)ethanamine
InChI	InChI=1S/C9H11NO2/c10-5-4-7-2-1-3-8-9(7)12-6-11-8/h1-3H,4-6,10H2
InChI Key	WGQBCGOHTNBZHW-UHFFFAOYSA-N
MDL Number	MFCD08448870
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	NCCC1=C2C(OCO2)=CC=C1
Synonyms	SCHEMBL1010010, WGQBCGOHTNBZHW-UHFFFAOYSA-N, 1,3-DIOXAINDANE-4-ETHANAMINE, 2-Benzo[1,3]dioxol-4-yl-ethylamine, AKOS006288443, 2-(1,3-Benzodioxole-4-yl)ethanamine, 33542-90-4, 2-(2H-1,3-benzodioxol-4-yl)ethan-1-amine, 1,3-Benzodioxole-4-ethanamine,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited