4H-1,4-Benzothiazine-2-carboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, monohydrochloride
Basic information
- CAS
37386-66-6- Standard SMILES
CCOC(=O)C1=CN(CCCN(C)C)c2ccccc2S1.Cl- InChIKey
YUPNBEUNXNSVJH-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2S
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1168768
Names & identifiers
- Preferred name
- 4H-1,4-Benzothiazine-2-carboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 4-[3-(dimethylamino)propyl]-1,4-benzothiazine-2-carboxylate;hydrochloride
Names & synonyms
37386-66-64H-1,4-Benzothiazine-2-carboxylic acid, 4-(3-(dimethylamino)propyl)-, ethyl ester, monohydrochloride2-Carbethoxy-4-(3-dimethylaminopropyl)-4H-1,4-benzothiazine hydrochlorideDTXSID70190821Cloridrato della 2-carboetossi-4-(3-dimetilaminopropil)-4H-1,4-benzotiazina [Italian]Cloridrato della 2-carboetossi-4-(3-dimetilaminopropil)-4H-1,4-benzotiazinaRefChem:297113DTXCID10113312Ethyl 4-[3-(dimethylamino)propyl]-4H-1,4-benzothiazine-2-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
37386-66-6- PubChem CID
- 216490
- DTXSID
DTXSID70190821
Properties
Computed structural properties
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…