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14756-77-5 molecular structure
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1,5-naphthyridin-3-amine

ChemBase ID: 54491
Molecular Formular: C8H7N3
Molecular Mass: 145.16128
Monoisotopic Mass: 145.06399724
SMILES and InChIs

SMILES:
c1c(cc2c(n1)cccn2)N
Canonical SMILES:
Nc1cnc2c(c1)nccc2
InChI:
InChI=1S/C8H7N3/c9-6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,9H2
InChIKey:
QTNIZGZNNIWTGC-UHFFFAOYSA-N

Cite this record

CBID:54491 http://www.chembase.cn/molecule-54491.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-naphthyridin-3-amine
IUPAC Traditional name
1,5-naphthyridin-3-amine
Synonyms
1,5-Naphthyridin-3-amine
1,5-Naphthyridin-3-amine
CAS Number
14756-77-5
MDL Number
MFCD13189455
PubChem SID
162059254
PubChem CID
589351

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4699262  LogD (pH = 7.4) 0.47014958 
Log P 0.4701524  Molar Refractivity 42.1508 cm3
Polarizability 17.21299 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C8H7N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000870 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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