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Betaine monohydrate

CAT: 0862-GE7265-250gSize: 250 gDry Ice: NoHazardous: No
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CAT#:0862-GE7265-250gSize:250 g
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CAS Number
590-47-6
EC Number
209-684-7
MDL Number
MFCD00150010
HS Code
2923900090
Purity
98.50%
Molecular Formula
C5H11NO2 · H2O
Molecular Weight
135.16
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide

See also: Betaine monohydrate (preferred).

CAS Number590-47-6
PubChem CID83815
IUPAC Namecarboxymethyl(trimethyl)azanium hydroxide
Molecular FormulaC5H13NO3
Molecular Weight135.16
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity93
SMILES
C[N+](C)(C)CC(=O)O.[OH-]
InChI
InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKey
NJZRLXNBGZBREL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide
CAS: 590-47-6
CID: 83815
Formula: C5H13NO3
MW: 135.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.16
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass135.08954328
Monoisotopic Mass135.08954328
Topological Polar Surface Area38.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.1
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

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