alpha-Methyl-4-propoxybenzylamine - CAS 104179-00-2

Catalog:	BB001348
Product Name:	alpha-Methyl-4-propoxybenzylamine
CAS:	104179-00-2
Synonyms:	1-(4-propoxyphenyl)ethanamine; 1-(4-propoxyphenyl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	1-(4-propoxyphenyl)ethanamine
Description:	alpha-Methyl-4-propoxybenzylamine (CAS# 104179-00-2) is a useful research chemical.
Molecular Weight:	179.26
Molecular Formula:	C11H17NO
Canonical SMILES:	CCCOC1=CC=C(C=C1)C(C)N
InChI:	InChI=1S/C11H17NO/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h4-7,9H,3,8,12H2,1-2H3
InChI Key:	CGMYQZSDLTVWPQ-UHFFFAOYSA-N
LogP:	3.19540

Publication Number	Title	Priority Date
EP-3483149-A1	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708
US-10383859-B2	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708
US-2019142809-A1	Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same	20160708
EP-3483149-B1	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708
US-2007111995-A1	Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors	20031219

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.131014166
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.131014166
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2