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1354940-72-9 molecular structure
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1,2,3,4-tetrahydro-2,7-naphthyridine hydrochloride

ChemBase ID: 71014
Molecular Formular: C8H11ClN2
Molecular Mass: 170.63934
Monoisotopic Mass: 170.06107604
SMILES and InChIs

SMILES:
C1NCCc2ccncc12.Cl
Canonical SMILES:
N1CCc2c(C1)cncc2.Cl
InChI:
InChI=1S/C8H10N2.ClH/c1-3-9-5-8-6-10-4-2-7(1)8;/h1,3,5,10H,2,4,6H2;1H
InChIKey:
WRARFMNQYDXJET-UHFFFAOYSA-N

Cite this record

CBID:71014 http://www.chembase.cn/molecule-71014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydro-2,7-naphthyridine hydrochloride
IUPAC Traditional name
1,2,3,4-tetrahydro-2,7-naphthyridine hydrochloride
Synonyms
1,2,3,4-Tetrahydro-2,7-naphthyridine hydrochloride
CAS Number
1354940-72-9
MDL Number
MFCD18253770
PubChem SID
162036720
PubChem CID
56965784

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56965784 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6537337  LogD (pH = 7.4) -1.1284887 
Log P 0.35381073  Molar Refractivity 40.4587 cm3
Polarizability 15.675962 Å3 Polar Surface Area 24.92 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
TSCA Listed
false expand Show data source
Purity
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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