Basic information
- CAS
77726-78-4- Standard SMILES
CC1(C)NC(=O)c2ccccc2N1- InChIKey
BXJMRXBQNLKDCI-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Overview
2,2-Dimethyl-2,3-dihydro-4(1H)-quinazolinone has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1,2,3-trihydroquinazolin-4-one
- IUPAC
- 2,2-dimethyl-1,3-dihydroquinazolin-4-one
- English name
- 2,2-Dimethyl-1,2,3-trihydroquinazolin-4-one
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
77726-78-42,2-Dimethyl-1,2,3-trihydroquinazolin-4-one2,2-Dimethyl-2,3-dihydroquinazolin-4(1H)-one2,2-dimethyl-1,2,3,4-tetrahydroquinazolin-4-one4(1H)-Quinazolinone, 2,3-dihydro-2,2-dimethyl-MFCD001701542,2-Dimethyl-2,3-dihydro-4(1H)-quinazolinoneOprea1_263737SCHEMBL16431296Dequalinium chloride Impurity 12DTXSID40344218BXJMRXBQNLKDCI-UHFFFAOYSA-N
Show more names
2,2-DIMETHYL-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE
BDBM222140SBB056415AKOS005272039MS-3606FD169046H527602,2-dimethyl-1,2-dihydroquinazolin-4(3h)-oneF069247
Database identifiers
- CAS
77726-78-4- PubChem CID
- 595161
- DTXSID
DTXSID40344218- Nikkaji
- J2.867.681F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 262 °C · 262 °C(Solv: methanol (67-56-1))
- Boiling point
- 399.1 · 399.1±22.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 13.27 · 13.27±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…