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689277-04-1 molecular structure
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2,5,7-trimethylquinolin-4-amine

ChemBase ID: 805168
Molecular Formular: C12H14N2
Molecular Mass: 186.25296
Monoisotopic Mass: 186.11569846
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)C)c(cc(n2)C)N)C
Canonical SMILES:
Cc1cc(C)c2c(c1)nc(cc2N)C
InChI:
InChI=1S/C12H14N2/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-6H,1-3H3,(H2,13,14)
InChIKey:
BGNKCOXXDCIDPY-UHFFFAOYSA-N

Cite this record

CBID:805168 http://www.chembase.cn/molecule-805168.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5,7-trimethylquinolin-4-amine
IUPAC Traditional name
2,5,7-trimethylquinolin-4-amine
Synonyms
4-AMINO-2,5,7-TRIMETHYLQUINOLINE
CAS Number
689277-04-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22451 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22451 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6604953  LogD (pH = 7.4) 1.0377532 
Log P 2.4601874  Molar Refractivity 59.3536 cm3
Polarizability 23.447254 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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