2H-1,3-Benzodioxol-4-ylmethanamine - CAS 182634-34-0

Catalog:	BB061614
Product Name:	2H-1,3-Benzodioxol-4-ylmethanamine
CAS:	182634-34-0
Synonyms:	Benzo[d][1,3]dioxol-4-ylmethanamine; 2H-1,3-benzodioxol-4-ylmethanamine; 1,3-Benzodioxole-4-methanamine; 1,3-benzodioxol-4-ylmethanamine; benzo[1,3]dioxol-4-methylamine; Benzo[1,3]dioxol-4-ylmethyl-amine; 1-(2H-1,3-Benzodioxol-4-yl)methanamine

Technical Data

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Patents

Computed Properties

IUPAC Name:	1,3-benzodioxol-4-ylmethanamine
Description:	2H-1,3-Benzodioxol-4-ylmethanamine
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	C1OC2=CC=CC(=C2O1)CN
InChI:	InChI=1S/C8H9NO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5,9H2
InChI Key:	WOSCKVGRNOPBKO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
TW-202120507-A	Tricyclic akr1c3 dependent kars inhibitors	20190801
AU-2020309846-A1	Tricyclic AKR1C3 dependent KARS inhibitors	20190801
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
AU-2020288563-A1	Imidazo(1,2-c)pyrimidine derivatives as PRC2 inhibitors for treating cancer	20190605
WO-2019152419-A1	Prc2 inhibitors	20180131
AU-2019214861-A1	PRC2 inhibitors	20180131
CN-112004816-A	PRC2 inhibitors	20180131
EP-3746446-A1	Prc2 inhibitors	20180131
BR-112020015583-A2	compound, pharmaceutical composition, and, methods to inhibit the activity of prc2 in a cell and to treat cancer	20180131

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.06332853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6