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39565-07-6 molecular structure
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5,7-dimethyl-1,8-naphthyridin-2-amine

ChemBase ID: 30671
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
c12nc(ccc2c(cc(n1)C)C)N
Canonical SMILES:
Nc1ccc2c(n1)nc(cc2C)C
InChI:
InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)
InChIKey:
BOSVHBKQNJZNHK-UHFFFAOYSA-N

Cite this record

CBID:30671 http://www.chembase.cn/molecule-30671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dimethyl-1,8-naphthyridin-2-amine
IUPAC Traditional name
5,7-dimethyl-1,8-naphthyridin-2-amine
Synonyms
5,7-dimethyl-1,8-naphthyridin-2-amine
5,7-Dimethyl[1,8]naphthyridin-2-yl-amine
5,7-Dimethyl-[1,8]naphthyridin-2-ylamine
CAS Number
39565-07-6
MDL Number
MFCD00006732
PubChem SID
160993978
PubChem CID
97365

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6485429  LogD (pH = 7.4) 1.6485555 
Log P 1.6485558  Molar Refractivity 54.0418 cm3
Polarizability 20.04655 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
220-226°C expand Show data source
Partition Coefficient
1.413 expand Show data source
Hydrophobicity(logP)
1.844 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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