3-(Aminomethyl)-1,2-benzisoxazole - CAS 155204-08-3

Catalog:	BB011099
Product Name:	3-(Aminomethyl)-1,2-benzisoxazole
CAS:	155204-08-3
Synonyms:	1,2-benzoxazol-3-ylmethanamine; 1,2-benzoxazol-3-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	1,2-benzoxazol-3-ylmethanamine
Description:	3-(Aminomethyl)-1,2-benzisoxazole (CAS# 155204-08-3) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=NO2)CN
InChI:	InChI=1S/C8H8N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5,9H2
InChI Key:	NJPJEUXBRLCEDZ-UHFFFAOYSA-N
LogP:	1.98680

Publication Number	Title	Priority Date
US-2020383960-A1	Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis	20190610
WO-2020250116-A1	Pyridine and pyrazine derivative for the treatment of cf, copd, and bronchiectasis	20190610
EP-3192792-A1	Aminosulfonyl compound, preparation method therefor and use thereof	20140912
JP-2017530958-A	Aminosulfonyl compounds, methods for their production, and uses	20140912
JP-6454413-B2	Aminosulfonyl compounds, methods for their production, and uses	20140912

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6