Basic information
- CAS
59997-14-7- Standard SMILES
CCn1c2nc(=O)n(C)c(=O)c-2cc2ccccc21- InChIKey
XPADYKHELBQXCD-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.10077667
Names & identifiers
- Preferred name
- 10-Ethyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
- IUPAC
- 10-ethyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
- English name
- Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-ethyl-3-methyl-
- Molecular formula
- C14H13N3O2
- Molecular weight
- 255.27192
Names & synonyms
59997-14-710-ethyl-3-methylpyrimido[4,5-b]quinoline-2,4-dioneCHEMBL472210NSC278160Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 10-ethyl-3-methyl-Oprea1_3613293-Methyl-10-ethyl-DeazaflavinDTXSID2031388610-ethyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneBDBM50479242NSC-278160TND-1128
Show more names
3-Methyl-10-ethyl-Deazaflavin(TND-1128)3-Methyl-10-ethyl-5-Deazaflavin10-ethyl-3-methyl-5-deazaflavinDenitrified flavin 2nd generation3-Methyl-10-ethyl-Deazaflavin T...
Database identifiers
- CAS
59997-14-7- PubChem CID
- 322148
- DTXSID
DTXSID20313886- ChEMBL
CHEMBL472210- Nikkaji
- J348.054B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
LogP1.1
Physicochemical properties
- Cosmetics Ingredients Functions
- EMULSION STABILISINGSKIN CONDITIONING - OCCLUSIVE
- InChI
- InChI=1S/C14H13N3O2/c1-3-17-11-7-5-4-6-9(11)8-10-12(17)15-14(19)16(2)13(10)18/h4-8H,3H2,1-2H3
- InChIKey
- XPADYKHELBQXCD-UHFFFAOYSA-N
- SMILES
- N1(CC)C2=C(C=CC=C2)C=C2C(=O)N(C)C(=O)N=C12
- 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
Suppliers72 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
山东科立康药业有限公司053-88113608 17854192669 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551 · [email protected]
Shenzhen Varror Biotech Co., Ltd+undefined+86-15817492830 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
济南洣林医药技术有限公司0531-68659554 +8613031714605 · [email protected]
金华市佰康生物工程有限公司0573-15557365800 15557365800 · [email protected]
Shandong Hanjiang Chemical Co., Ltd+86-0533-2066820 +8618369939125 · [email protected]
Xi an Biohorlden Industry Trade Co Ltd+8618829283179 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
杭州润颜医药科技有限公司571-13989459766 18112526015 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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