3-(Aminomethyl)benzofuran - CAS 165735-63-7

Catalog:	BB012209
Product Name:	3-(Aminomethyl)benzofuran
CAS:	165735-63-7
Synonyms:	3-benzofuranylmethanamine; 1-benzofuran-3-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	1-benzofuran-3-ylmethanamine
Description:	3-(Aminomethyl)benzofuran (CAS# 165735-63-7) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1=CC=C2C(=C1)C(=CO2)CN
InChI:	InChI=1S/C9H9NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChI Key:	YATHOKUVGYAFOO-UHFFFAOYSA-N
LogP:	2.59180

Publication Number	Title	Priority Date
WO-2019178248-A1	Inhibitors of integrin alpha 2 beta 1 and methods of use	20180313
AU-2019234836-A1	Inhibitors of integrin alpha 2 beta 1 and methods of use	20180313
CN-112105350-A	Inhibitors of integrin alpha 2 beta 1 and methods of use	20180313
EP-3765005-A1	Inhibitors of integrin alpha 2 beta 1 and methods of use	20180313
CA-3067080-A1	Benzofuran ureas or carbamates and heteroaromatic analogues thereof for use in therapy	20170614

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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:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2