Basic information
- CAS
127321-51-1- Standard SMILES
CCN(CC)c1ccc2c(C)c(CO)c(=O)oc2c1- InChIKey
XGPAGXKXJDKNMG-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one
- IUPAC
- 7-(diethylamino)-3-(hydroxymethyl)-4-methylchromen-2-one
- English name
- 7-Diethylamino-3-hydroxymethyl-4-methyl-chromen-2-one
- Molecular formula
- C15H19NO3
- Molecular weight
- 261.32
Names & synonyms
127321-51-1DTXSID803536477-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-oneRefChem:310169DTXCID803047107-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one7-Diethylamino-3-hydroxymethyl-4-methyl-chromen-2-one7-(diethylamino)-3-(hydroxymethyl)-4-methylchromen-2-one2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-MLS000766701SMR0003395977-(diethylamino)-3-(hydroxymethyl)-4-methyl-chromen-2-one
Show more names
CHEMBRDG-BB 52114437-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one(SALTDATA: FREE)
7-(diethylamino)-4-methyl-3-methylol-coumarin7-Diethylamino-3-hydroxymethyl-4-methylcoumarinOprea1_732613CBDivE_012661cid_747166SCHEMBL4390559CHEMBL1489077BDBM100070
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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