Basic information
- CAS
6113-04-8- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]- InChIKey
WMUOPJLADBOCIX-UHFFFAOYSA-M- Molecular formula
- C21H28BrNO2
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 405.13034
Names & identifiers
- Preferred name
- Adiphenine methyl bromide
- IUPAC
- 2-(2,2-diphenylacetyl)oxyethyl-diethyl-methylazanium bromide
- English name
- Remitan
- Molecular formula
- C21H28BrNO2
- Molecular weight
- 406.36
Names & synonyms
Adiphenine methyl bromideRemitanLunal6113-04-82OVU84VI37EINECS 228-077-8Diphenylacetic acid 2-(diethylamino)ethyl ester methyl bromideNSC 83044NSC-830442-Diethylaminoethyl diphenylacetate methyl bromideAmmonium, diethyl(2-hydroxyethyl)methyl-, bromide, diphenylacetateADIPHENINE METHOBROMIDE
Show more names
NSC83044Aceclidine Impurity 6DIETHYL(2-(DIPHENYLACETOXY)-ETHYL)METHYLAMMONIUM BROMIDE2-(2,2-diphenylacetyl)oxyethyl-diethyl-methylazanium,bromide
Acetic acid, diphenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide(2-(Diphenylacetoxy)ethyl)diethylmethylammonium bromideEthanaminium, 2-((diphenylacetyl)oxy)-N,N-diethyl-N-methyl-, bromideETHANAMINIUM, 2-((2,2-DIPHENYLACETYL)OXY)-N,N-DIETHYL-N-METHYL-, BROMIDE (1:1)[2-(DIPHENYLACETOXY)ETHYL]DIETHYLMETHYLAMMONIUM BROMIDEEthanaminium, 2-[(2,2-diphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide (1:1)RefChem:553049Ethanaminium, 2-((diphenylacetyl)oxy)-N,N-diethyl-N-methyl-, bromide (9CI)
Database identifiers
- CAS
6113-04-8- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- FDA UNII
- 2 OVU84VI37 · 2OVU84VI37
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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