AG000GPP

115665-52-6 | Glycine, N-methyl-N-(methylsulfonyl)-

AG000GPP

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CAS Number	115665-52-6
Catalog Number	AG000GPP(AGN-PC-0LUGTH)
Chemical Name	Glycine, N-methyl-N-(methylsulfonyl)-
IUPAC Name	2-[methyl(methylsulfonyl)amino]acetic acid
InChI	InChI=1S/C4H9NO4S/c1-5(3-4(6)7)10(2,8)9/h3H2,1-2H3,(H,6,7)
InChI Key	BJJBJDSBYILUDE-UHFFFAOYSA-N
MDL Number	MFCD07403636
Molecular Formula	C4H9NO4S
Molecular Weight	167.1836
SMILES	O=C(O)CN(C)S(=O)(=O)C
Synonyms	N-methyl-N-(methylsulfonyl)glycine, 115665-52-6, 2-(N-Methylmethylsulfonamido)acetic acid, Glycine, N-methyl-N-(methylsulfonyl)-, 2-[methane(methyl)sulfonamido]acetic acid, 2-(N-methylmethanesulfonamido)acetic acid, (Methanesulfonyl-methyl-amino)-acetic acid, 2-[methyl(methylsulfonyl)amino]acetic acid, ASN 15421076, AC1Q3XAP, AC1O6KE5, SCHEMBL8005614, CTK8B7639, DTXSID90424695, KS-00000AA1, ZINC4992804, ANW-58022, BBL011898, MFCD07403636, STK727378, AKOS000126841, (N-methylmethanesulfonamido)acetic acid, MCULE-6401759445, TRA0082649, AJ-52863, AS-31964, SY015012, AB0065954, DB-060742, RT-008099, BB 0240282, FT-0753243, ST24025666, Z7720, EN300-35642, K-1104, MFCD07403636 (95+%), J-003314, Z45715515, F2135-0519, C4H9NO4S, CID6502033, 108-42-9,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.179g/mol
Monoisotopic Mass	167.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

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

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