AG003G8P

72955-86-3 | 2-[2-(Methylthio)phenoxy]ethylamine

AG003G8P

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CAS Number	72955-86-3
Catalog Number	AG003G8P(AGN-PC-02U71O)
Chemical Name	2-[2-(Methylthio)phenoxy]ethylamine
IUPAC Name	2-(2-methylsulfanylphenoxy)ethanamine
InChI	InChI=1S/C9H13NOS/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key	IKIYPTDCNNXUJN-UHFFFAOYSA-N
MDL Number	MFCD17171366
Molecular Formula	C9H13NOS
Molecular Weight	183.2706
SMILES	CSC1=CC=CC=C1OCCN
Synonyms	2-[2-(Methylthio)phenoxy]ethylamine, 72955-86-3, 2-(2-(Methylthio)phenoxy)ethanamine, Ethanamine, 2-[2-(methylthio)phenoxy]-, 2-[2-(methylthio)phenoxy]Ethanamine, SCHEMBL7414992, CTK8E1714, KS-000009GT, 5382AJ, KM1527, MFCD17171366, ZINC82504094, AKOS012959837, TRA-0203337, AS-31930, BBV-37723786, SY008287, AB0062802, AJ-125398, AX8269235, DB-074642, TC-306941, FT-0735770, MFCD17171366 (95+%), I01-10108, C9H13NOS, 388116-27-6,

Complexity	121
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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