Basic information
- CAS
172462-90-7- Standard SMILES
Cc1nc2c(C)cccc2c(=O)[nH]1- InChIKey
CJXMJXBJIWEHRP-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 2,8-Dimethyl-3H-quinazolin-4-one
- IUPAC
- 2,8-dimethyl-3H-quinazolin-4-one
- English name
- 2,8-Dimethylquinazolin-4-ol
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
172462-90-72,8-Dimethyl-3H-quinazolin-4-oneRefChem:2489742,8-Dimethylquinazolin-4(1H)-one2,8-DIMETHYLQUINAZOLIN-4-OL2,8-dimethyl-1H-quinazolin-4-oneCHEMBL1515492,8-dimethyl-1,4-dihydroquinazolin-4-oneSCHEMBL1387263SCHEMBL14854035SCHEMBL21072769SCHEMBL27393825
Show more names
4(3H)-Quinazolinone, 2,8-dimethyl-
DTXSID10441349CJXMJXBJIWEHRP-UHFFFAOYSA-N2,8-Dimethyl-4(3H)-quinazolinone2,8-dimethylquinazolin-4-[3h]-oneBDBM50068761AKOS006228743AB63500PD180224
Database identifiers
- CAS
172462-90-7- PubChem CID
- 135463574
- DTXSID
DTXSID10441349- ChEMBL
CHEMBL151549- Nikkaji
- J1.052.255B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 240 °C · 240 °C
- Boiling point
- 310.7 · 310.7±35.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
3 records
Compound notes
Loading…