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Choline bicarbonate 80% solution in water

CAT: 0286-C21241Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0286-C21241Size:100 mL
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CAS Number
78-73-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00031689
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 bicarbonate

See also: Bicarbonate Ion (has active moiety).

CAS Number78-73-9
PubChem CID6552
IUPAC Namehydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
Molecular FormulaC6H15NO4
Molecular Weight165.19
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity71
SMILES
C[N+](C)(C)CCO.C(=O)(O)[O-]
InChI
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Choline bicarbonate
CAS: 78-73-9
CID: 6552
Formula: C6H15NO4
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.19
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass165.10010796
Monoisotopic Mass165.10010796
Topological Polar Surface Area80.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity71.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes