3-(Aminomethyl)-2,3-dihydrobenzofuran - CAS 111191-88-9

Catalog:	BB002734
Product Name:	3-(Aminomethyl)-2,3-dihydrobenzofuran
CAS:	111191-88-9
Synonyms:	2,3-dihydrobenzofuran-3-ylmethanamine; 2,3-dihydro-1-benzofuran-3-ylmethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-dihydro-1-benzofuran-3-ylmethanamine
Description:	3-(Aminomethyl)-2,3-dihydrobenzofuran (CAS# 111191-88-9) is a useful research chemical.
Molecular Weight:	149.19
Molecular Formula:	C9H11NO
Canonical SMILES:	C1C(C2=CC=CC=C2O1)CN
InChI:	InChI=1S/C9H11NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
InChI Key:	WUVYUJQJHJGINF-UHFFFAOYSA-N
LogP:	1.82160

Publication Number	Title	Priority Date
AU-2010343055-B2	Heteroaryl compounds and uses thereof	20091229
AU-2017200697-A1	Heteroaryl compounds and uses thereof	20091229
CA-2783624-A1	Heteroaryl compounds and uses thereof	20091229
EP-2519235-A1	Heteroaryl compounds and uses thereof	20091229
EP-2519235-B1	Heteroaryl compounds and uses thereof	20091229

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Related Functional Groups

Amines and Anilines

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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
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1-Cyclopentyl-1H-pyrazole-3,5-diamine
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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.084063974
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8