Home > Compound List > Compound details
247571-77-3 molecular structure
click picture or here to close

2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

ChemBase ID: 10897
Molecular Formular: C15H15NO2
Molecular Mass: 241.2851
Monoisotopic Mass: 241.11027873
SMILES and InChIs

SMILES:
c12c(c3c(nc1CCC(C2)C)cccc3)C(=O)O
Canonical SMILES:
CC1CCc2c(C1)c(C(=O)O)c1c(n2)cccc1
InChI:
InChI=1S/C15H15NO2/c1-9-6-7-13-11(8-9)14(15(17)18)10-4-2-3-5-12(10)16-13/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKey:
ZKCKKMVBVAVEIY-UHFFFAOYSA-N

Cite this record

CBID:10897 http://www.chembase.cn/molecule-10897.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
IUPAC Traditional name
2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Synonyms
2-Methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
2-Methyl-1,2,3,4-tetrahydro-acridine-9-carboxylic acid
CAS Number
247571-77-3
MDL Number
MFCD01542218
PubChem SID
160974204
PubChem CID
2771941

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7837043  H Acceptors
H Donor LogD (pH = 5.5) 1.4832486 
LogD (pH = 7.4) 0.05147453  Log P 3.0338674 
Molar Refractivity 68.8425 cm3 Polarizability 27.603893 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
4.274 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle