(Methylimino)(3-(propan-2-yl)-4-(trimethylazaniumyl)phenoxy)methanolate--hydrogen iodide (1/1)
Basic information
- CAS
5439-96-3- Standard SMILES
CNC(=O)Oc1ccc([N+](C)(C)C)c(C(C)C)c1.[I-]- InChIKey
BBOLEIGTBZUUJZ-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O2
- Average molar mass
- 378.25 g/mol
- Monoisotopic mass
- 378.08043
Names & identifiers
- Preferred name
- (Methylimino)(3-(propan-2-yl)-4-(trimethylazaniumyl)phenoxy)methanolate--hydrogen iodide (1/1)
- IUPAC
- trimethyl-[4-(methylcarbamoyloxy)-2-propan-2-ylphenyl]azanium iodide
Names & synonyms
DTXSID20969509RefChem:1050988DTXCID501397061(Methylimino)(3-(propan-2-yl)-4-(trimethylazaniumyl)phenoxy)methanolate--hydrogen iodide (1/1)TL-13275439-96-3NSC 15410TL-1502T-1721Ammonium, (4-methylcarbamoyloxy-o-cumenyl)trimethyl-, iodideAmmonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, methylcarbamateAmmonium, ((2-isopropyl-5-methylcarbamoyloxy)phenyl)trimethyl-, iodide
Show more names
Carbamic acid, methyl-, (4-trimethylammonio)-m-cumenyl ester, iodideCarbamic acid, methyl-, 3-(trimethylammonio)-p-cumenyl ester, iodideAmmonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, methylcarbamate (ester)Carbamic acid, N-methyl-, 3-dimethylamino-4-isopropylphenyl ester, methiodideCarbamic acid, N-methyl-, 3-isopropyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((5-HYDROXY-2-ISOPROPYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATENSC15410NSC-15410
Database identifiers
- CAS
5439-96-3、64046-26-0- PubChem CID
- 46598
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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