Basic information
- CAS
53936-95-1- Standard SMILES
Cc1nc2ccccc2cc1CO- InChIKey
NJEKQDADEISXFB-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- (2-Methylquinolin-3-yl)methanol
- IUPAC
- (2-methylquinolin-3-yl)methanol
- English name
- (2-methylquinolin-3-yl)methanol
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
(2-methylquinolin-3-yl)methanol53936-95-12-Methyl-3-quinolinemethanolNSC1659943-HydroxymethylquinaldineSCHEMBL3633495DTXSID30304503(2-Methyl-3-quinolinyl)methanol #NSC-165994DB-423549EN300-5103337Z1255417752
Show more names
3-Quinolinemethanol, 2-methyl-
Database identifiers
- CAS
53936-95-1- PubChem CID
- 296140
- DTXSID
DTXSID30304503- Nikkaji
- J1.249.619B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 331.4 · 331.4±27.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.10(Predicted)
Chemistry & industry
Suppliers5 total
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
武汉海昕药物研究有限公司027-81525288 18086100502 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…