Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 6th, 2004 |
7 |
No
|
Other Names:
(formylmethyl)trimethyl-Ammonium; (Formylmethyl)trimethylammonium; Betaine aldehyde; BTL; Glycine betaine aldehyde; N,N,N-trimethyl-2-oxo Ethanaminium; N,N,N-trimethyl-2-oxo-Ethanaminium; Trimethyl(formylmethyl)ammonium
(Formylmethyl)trimethylammonium; (formylmethyl)trimethyl-Ammonium; BTL; Betaine aldehyde; Glycine betaine aldehyde; N,N,N-Trimethyl-2-oxo Ethanaminium; N,N,N-Trimethyl-2-oxo-Ethanaminium; Trimethyl(formylmethyl)ammonium
(Formylmethyl)trimethylammonium;(formylmethyl)trimethyl-Ammonium;BTL;Betaine aldehyde;Glycine betaine aldehyde;N,N,N-Trimethyl-2-oxo Ethanaminium;N,N,N-Trimethyl-2-oxo-Ethanaminium;Trimethyl(formylmethyl)ammonium
BETAINE ALDEHYDE CHLORIDE
[Formylmethyl]Trimethyl-Ammonium, N,N,N-Trimethylammonium Acetaldehyde
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MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-4.36 |
2.59 |
-30.01 |
1 |
2 |
1 |
20 |
102.157 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-3.81 |
4.51 |
-35.97 |
0 |
2 |
1 |
17 |
102.157 |
2 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.
