2-Methylquinazoline

HCID 588987
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Basic information

CAS
700-79-8
Standard SMILES
Cc1ncc2ccccc2n1
InChIKey
DXPQTHAFYUTZRR-UHFFFAOYSA-N
Molecular formula
C9H8N2
Average molar mass
144.17 g/mol
Monoisotopic mass
144.06874826

Names & identifiers

Preferred name
2-Methylquinazoline
IUPAC
2-methylquinazoline
English name
Quinazoline, 2-methyl- (6CI,7CI,8CI,9CI)
Molecular formula
C9H8N2
Molecular weight
144.17

Names & synonyms

2-Methylquinazoline700-79-8Quinazoline, 2-methyl-RefChem:88383DXPQTHAFYUTZRR-UHFFFAOYSA-N2-Methyl-quinazolinemethylquinazolineSCHEMBL196150SCHEMBL196151SCHEMBL857662SCHEMBL1260006SCHEMBL3483155
Show more names
2-Methylquinazoline ,≥96%2-methyl- (6CI,7CI,8CI,9CI)Qinazoline,2-methyl-(6Cl,7Cl,8Cl,9Cl)Quinazoline, 2-methyl- (6CI,7CI,8CI,9CI)
SCHEMBL4755875SCHEMBL7976174CHEMBL3287981SCHEMBL10669046DTXSID001315600MFCD00234526AS-0206DB-409876

Database identifiers

CAS
700-79-8
PubChem CID
588987
DTXSID
DTXSID001315600
ChEMBL
CHEMBL3287981
Nikkaji
J101.312B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
37 · 37-38℃
Boiling point
61 ℃ · 61℃ (20 Torr)
Density
1.141 · 1.141±0.06 g/cm3(Predicted)
pka
4.3 · 4.30±0.39(Predicted)
InChI
InChI=1S/C9H8N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-6H,1H3
InChIKey
DXPQTHAFYUTZRR-UHFFFAOYSA-N

Chemistry & industry

Upstream & downstream products

Suppliers14 total

河北凡博医药科技有限公司15588346797
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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