Choline Bromide

CAT: 0127-OR1030430-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1030430-01Size:5 g

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CAS Number

1927-06-6

Synonyms

2-hydroxyethyl (trimethyl) azanium; bromide

Purity

98%

Smiles

C[N+](C)(C)CCO.[Br-]

Chemical Information

Choline Bromide

See also: Choline (annotation moved to); Choline Chloride (annotation moved to).

CAS Number	1927-06-6
PubChem CID	74724
IUPAC Name	2-hydroxyethyl(trimethyl)azanium bromide
Molecular Formula	C5H14BrNO
Molecular Weight	184.07
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	46

SMILES

C[N+](C)(C)CCO.[Br-]

InChI

InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

InChIKey

JJCWKVUUIFLXNZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1927-06-6

CID: 74724

Formula: C5H14BrNO

MW: 184.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	184.07
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.02588
Monoisotopic Mass	183.02588
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes