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Betaine aldehyde

Betaine aldehyde structure

CAS No:
7418-61-3
Formula:
C5H12NO
Chemical Name:
Betaine aldehyde
Synonyms:
Ethanaminium,N,N,N-trimethyl-2-oxo-;Ammonium,(formylmethyl)trimethyl-;N,N,N-Trimethyl-2-oxoethanaminium;Betaine aldehyde;Glycine betaine aldehyde;(Formylmethyl)trimethylammonium;Trimethyl(formylmethyl)ammonium
Categories:
Organic Chemistry > Amides

Description

ChEBI: A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine.

Solid

Betaine aldehyde is a quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. It has a role as an Escherichia coli metabolite, a plant metabolite, an Aspergillus metabolite, a mouse metabolite and a human metabolite.

Betaine aldehyde Basic Attributes

Molecular Weight：

102.15500

Exact Mass：

102.09200

UNII：

DEI7V5X7RB

DSSTox ID：

DTXSID20225152

Characteristics

PSA：

17.07000

XLogP3：

-0.2

Appearance：

Solid

Collision Cross Section：

117.2 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Drug Information

MeSH Entry Terms：

betaine aldehyde

Computed Properties

Molecular Weight:102.15
XLogP3:-0.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:102.091889006
Monoisotopic Mass:102.091889006
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Formal Charge:1
Complexity:63
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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betaine aldehyde

CAS No.: 7418-61-3

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