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92788-84-6 molecular structure
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(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine dihydrochloride

ChemBase ID: 810532
Molecular Formular: C12H18Cl2N2O2
Molecular Mass: 293.18952
Monoisotopic Mass: 292.07453319
SMILES and InChIs

SMILES:
Cl.Cl.c1(cc2c(cc1OC)CCN=C2CN)OC
Canonical SMILES:
NCC1=NCCc2c1cc(OC)c(c2)OC.Cl.Cl
InChI:
InChI=1S/C12H16N2O2.2ClH/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2;;/h5-6H,3-4,7,13H2,1-2H3;2*1H
InChIKey:
JYECSTOOTWFROV-UHFFFAOYSA-N

Cite this record

CBID:810532 http://www.chembase.cn/molecule-810532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine dihydrochloride
IUPAC Traditional name
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine dihydrochloride
Synonyms
1-(AMINOMETHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-ISOQUINOLINE DIHYDROCHLORIDE
CAS Number
92788-84-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29213 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2281373  LogD (pH = 7.4) -0.49911174 
Log P 0.56764704  Molar Refractivity 63.0103 cm3
Polarizability 24.162737 Å3 Polar Surface Area 56.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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