3-(5-Methyl-2-thienyl)propylamine - CAS 1000530-84-6

Catalog:	BB000046
Product Name:	3-(5-Methyl-2-thienyl)propylamine
CAS:	1000530-84-6
Synonyms:	3-(5-methyl-2-thiophenyl)-1-propanamine; 3-(5-methylthiophen-2-yl)propan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(5-methylthiophen-2-yl)propan-1-amine
Description:	3-(5-Methyl-2-thienyl)propylamine (CAS# 1000530-84-6) is a useful research chemical.
Molecular Weight:	155.26
Molecular Formula:	C8H13NS
Canonical SMILES:	CC1=CC=C(S1)CCCN
InChI:	InChI=1S/C8H13NS/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6,9H2,1H3
InChI Key:	KXGJHODEJWQRRS-UHFFFAOYSA-N
LogP:	2.64810

Publication Number	Title	Priority Date
EP-3668832-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
WO-2019036374-A1	3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND THEIR USE	20170814
TW-201738203-A	Tertiary guanamine and method of use	20160406
US-2019119200-A1	Tertiary amides and method of use	20160406
WO-2017177004-A1	Tertiary amides and method of use	20160406

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Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.07687059
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.07687059
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7