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1465-25-4 molecular structure
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dihydrogen N-(2-aminoethyl)naphthalen-1-amine dichloride

ChemBase ID: 288933
Molecular Formular: C12H14Cl2N2--
Molecular Mass: 257.15896
Monoisotopic Mass: 256.05340382
SMILES and InChIs

SMILES:
C(Nc1c2c(ccc1)cccc2)CN.[Cl-].[Cl-]
Canonical SMILES:
NCCNc1cccc2c1cccc2.[Cl-].[Cl-]
InChI:
InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H/p-2
InChIKey:
MZNYWPRCVDMOJG-UHFFFAOYSA-L

Cite this record

CBID:288933 http://www.chembase.cn/molecule-288933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dihydrogen N-(2-aminoethyl)naphthalen-1-amine dichloride
IUPAC Traditional name
dihydrogen N-(1-naphthyl)ethylenediamine dichloride
Synonyms
N1-(Naphthalen-1-yl)ethane-1,2-diamine dihydrochloride
CAS Number
1465-25-4
MDL Number
MFCD00012556
PubChem SID
180674464
PubChem CID
53314899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215143 Please log in.
Data Source Data ID
PubChem 53314899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.360457  LogD (pH = 7.4) -0.5188825 
Log P 1.6385169  Molar Refractivity 60.6518 cm3
Polarizability 24.321346 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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