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Choline bitartrate

CAT: 0286-C21250-02Size: 2500 gDry Ice: NoHazardous: No
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CAT#:0286-C21250-02Size:2500 g
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CAS Number
87-67-2
Synonyms
2- (Hydroxyethyl) trimethylammonium bitartrate; Choline tartrate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036332
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Choline Bitartrate

See also: Choline (has active moiety); Choline Chloride (related); Multivitamin (component of) ... View More ...

CAS Number87-67-2
PubChem CID6900
IUPAC Name2-hydroxyethyl(trimethyl)azanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
Molecular FormulaC9H19NO7
Molecular Weight253.25
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity193
SMILES
C[N+](C)(C)CCO.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
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/t;1-,2-/m.1/s1
InChIKey
QWJSAWXRUVVRLH-LREBCSMRSA-M
Chemical Structure
2D Structure
2D structure of Choline Bitartrate
CAS: 87-67-2
CID: 6900
Formula: C9H19NO7
MW: 253.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.25
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass253.11615195
Monoisotopic Mass253.11615195
Topological Polar Surface Area138 Ų
Heavy Atom Count17
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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