AG008E1P

87-67-2 | 2-Hydroxy-N,N,N-trimethylethan-1-aminium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate

AG008E1P

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CAS Number	87-67-2
Catalog Number	AG008E1P(AGN-PC-0VFQTS)
Chemical Name	2-Hydroxy-N,N,N-trimethylethan-1-aminium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate
IUPAC Name	2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate
InChI	InChI=1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1
InChI Key	QWJSAWXRUVVRLH-UHFFFAOYSA-M
MDL Number	MFCD00036332
Molecular Formula	C9H19NO7
Molecular Weight	253.2497
SMILES	O[C@@H](C(=O)[O-])[C@H](C(=O)O)O.OCC[N+](C)(C)C
Synonyms	2-Hydroxy-N,N,N-trimethylethanaminium, Bitartrate, Choline, Bursine, Chloride, Choline, Choline, Choline Bitartrate, Choline Chloride, Choline Citrate, Choline Hydroxide, Choline O Sulfate, Choline O-Sulfate, Citrate, Choline, Fagine, Hydroxide, Choline, O-Sulfate, Choline, Vidine, CHOLINE BITARTRATE, 87-67-2, CHOLINI BITARTRAS, 2-Hydroxy-N,N,N-trimethylethanaminium 3-carboxy-2,3-dihydroxypropanoate, MFCD00036332, 2-(Hydroxyethyl)trimethylammonium bitartrate, Choline bitartrate, 97%, Choline tartrate (1:1), W-104008, (2-Hydroxyethyl)trimethylammonium bitartrate, Cholinibitatratis, Choline-bitartrate, SCHEMBL225595, C9H19NO7, CHEMBL2105935, KS-00000XRJ, Choline Hydrogen L-(+)-Tartrate, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), BCP23009, AKOS015902411, API0001998, BC682279, H935, choline 3-carboxy-2,3-dihydroxypropanoate, FT-0623770, I14-19934, Choline tartrate, Cholinebitartrate, Choline hydrogen tartrate, Choline BiTartrate 500gm, L(+)- Choline Bitartrate, Choline, tartrate (1:1), UNII-6K2W7T9V6Y, Choline bitartrate, anhydrous, C5H14NO.C4H5O6, HSDB 983, 2-hydroxyethyl(trimethyl)azanium, Choline, tartrate (1:1) salt, 2,3,4-trihydroxy-4-oxobutanoate, Tartaric acid, ion(1-), choline, EINECS 201-763-4, c0553, C5-H14-N-O.C4-H5-O6, CID10198924, Choline bitartrate, 98% - 100G 100g, 2-Hydroxy-N,N,N-trimethylethanaminium 2,3-dihydroxybutanedioate, (R-(R*,R*))-, Etanamino, 2-hidroxi-n, n, n-trimetil-, (2r, 3r)-2,3-dihidroxibutanodioato (1:1), Butanedioic acid, 2,3-dihydroxy- (R-(R*,R*))-, ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (2R,3R)-2,3-dihydroxybutanedioic acid (1:1), Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (1:1), Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with [R-(R,R)]-2,3-dihydroxybutanedioic acid (1:1),

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.116g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	253.251g/mol
Monoisotopic Mass	253.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number