Basic information
- CAS
13213-99-5- Standard SMILES
CC[N+](C)(CC)CCO- InChIKey
BKMLGCPWXVBXHY-UHFFFAOYSA-N- Molecular formula
- C7H18NO+
- Average molar mass
- 132.22 g/mol
- Monoisotopic mass
- 132.1388392
Overview
false cholinergic transmitter; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Diethylcholine
- IUPAC
- diethyl-(2-hydroxyethyl)-methylazanium
- English name
- diethylcholine
- Molecular weight
- 0
Names & synonyms
Diethylcholine13213-99-5(2-Hydroxyethyl)methyldiethylammoniumP5TJ2XJ5RKN,N-Diethyl-2-hydroxy-N-methylethanaminiumDiethyl(2-hydroxyethyl)methylammoniumRefChem:133483diethyl-(2-hydroxyethyl)-methylazaniumN,N-DiethylmethylcholineEthanaminium, N,N-diethyl-2-hydroxy-N-methyl-NCIOpen2_002464SCHEMBL1598382
Show more names
N,N-Diethyl-N-methyl-2-hydroxyethanaminium
DTXSID10927552N,N-Diethyl-2-hydroxy-N-methylethan-1-aminium
Database identifiers
- CAS
13213-99-5- PubChem CID
- 83239
- DTXSID
DTXSID10927552- UNII
- P5TJ2XJ5RK
- Nikkaji
- J81.569A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 69.3
Physicochemical properties
- FDA UNII
- 5 TJ2XJ5RK · P5TJ2XJ5RK
Chemistry & industry
Suppliers1 total
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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