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61416-82-8 molecular structure
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naphthalene-1-carboximidamide hydrochloride

ChemBase ID: 797878
Molecular Formular: C11H11ClN2
Molecular Mass: 206.67144
Monoisotopic Mass: 206.06107604
SMILES and InChIs

SMILES:
Cl.c1cc2c(cc1)cccc2C(=N)N
Canonical SMILES:
NC(=N)c1cccc2c1cccc2.Cl
InChI:
InChI=1S/C11H10N2.ClH/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H3,12,13);1H
InChIKey:
OXDWHBYEKLTZHO-UHFFFAOYSA-N

Cite this record

CBID:797878 http://www.chembase.cn/molecule-797878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-1-carboximidamide hydrochloride
IUPAC Traditional name
naphthalene-1-carboximidamide hydrochloride
Synonyms
Naphthalene-1-carboxamidine hydrochloride
CAS Number
61416-82-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9927 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9927 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) -0.5321255  LogD (pH = 7.4) -0.52110887 
Log P 1.883191  Molar Refractivity 64.1807 cm3
Polarizability 21.633726 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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