1H-2,3-Benzoxazine, 3,4-dihydro-3-methyl-
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Basic information
- CAS
14764-25-1- Standard SMILES
CN1Cc2ccccc2CO1- InChIKey
SBPYEMSKGZSEGI-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-3-methyl-
- IUPAC
- 3-methyl-1,4-dihydro-2,3-benzoxazine
- English name
- 3,4-Dihydro-3-methyl-1H-2,3-benzoxazine
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
3-Methyl-3,4-dihydro-1H-2,3-benzoxazine14764-25-1BRN 12115071H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-METHYL-DTXSID00163765RefChem:237272DTXCID60862563-methyl-1,4-dihydro-2,3-benzoxazine3,4-Dihydro-3-methyl-1H-2,3-benzoxazineSCHEMBL14769042
Database identifiers
- CAS
14764-25-1- PubChem CID
- 26875
- DTXSID
DTXSID00163765- Nikkaji
- J41.916H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 70 · 70-75 °C(Press: 0.4 Torr)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.20(Predicted)
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Compound notes
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