AG003G98

1203188-22-0 | 2-[4-(Methylthio)phenoxy]ethylamine

AG003G98

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CAS Number	1203188-22-0
Catalog Number	AG003G98(AGN-PC-03GETO)
Chemical Name	2-[4-(Methylthio)phenoxy]ethylamine
IUPAC Name	2-(4-methylsulfanylphenoxy)ethanamine
InChI	InChI=1S/C9H13NOS/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key	OBQCIKNPWDQZBQ-UHFFFAOYSA-N
MDL Number	MFCD13370835
Molecular Formula	C9H13NOS
Molecular Weight	183.2706
SMILES	CSC1=CC=C(OCCN)C=C1
Synonyms	2-[4-(Methylthio)phenoxy]ethylamine, 1203188-22-0, 2-(4-(Methylthio)phenoxy)ethanamine, 2-[4-(methylthio)phenoxy]Ethanamine, 2-[4-(methylsulfanyl)phenoxy]ethanamine, PubChem19160, SCHEMBL8100987, CTK8E1716, ALBB-025438, KS-000009GS, 3517AA, BBL003580, MFCD13370835, SBB072300, STK520679, ZINC36245284, AKOS005458091, MCULE-9182354344, TRA0096944, AJ-92541, AK113385, AS-31931, BBV-37723789, ST088713, SY008288, AB0062787, AB1001068, AX8174042, DB-061725, TC-306951, FT-0730753, K-1431, MFCD13370835 (97+%), 2-[4-(methylthio)phenoxy]ethanamine hydrochloride, I01-10109, null, C9H13NOS, 2-(4-methylthiophenoxy)ethylamine, 2-(4-METHYLSULFANYL-PHENOXY)-ETHYLAMINE, 886769-00-2,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.072g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.269g/mol
Monoisotopic Mass	183.072g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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