4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride
Basic information
- CAS
57462-68-7- Standard SMILES
CC1Oc2ccc(Cl)cc2N(CC[NH+]2CCCC2)C1=O.[Cl-]- InChIKey
DAHSCMLJGRYAKQ-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2N2O2
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.0901833
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride
- IUPAC
- 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride
Names & synonyms
57462-68-74H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)ethyl)-, hydrochlorideRefChem:297121
Database identifiers
- CAS
57462-68-7- PubChem CID
- 42318
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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