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2011-48-5 molecular structure
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[(4-methoxyphenyl)methyl]hydrazine dihydrochloride

ChemBase ID: 15550
Molecular Formular: C8H14Cl2N2O
Molecular Mass: 225.11556
Monoisotopic Mass: 224.04831844
SMILES and InChIs

SMILES:
c1cc(ccc1OC)CNN.Cl.Cl
Canonical SMILES:
NNCc1ccc(cc1)OC.Cl.Cl
InChI:
InChI=1S/C8H12N2O.2ClH/c1-11-8-4-2-7(3-5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
InChIKey:
XMPHUNHAMDBTBE-UHFFFAOYSA-N

Cite this record

CBID:15550 http://www.chembase.cn/molecule-15550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methoxyphenyl)methyl]hydrazine dihydrochloride
IUPAC Traditional name
[(4-methoxyphenyl)methyl]hydrazine dihydrochloride
Synonyms
(4-Methoxybenzyl)hydrazine dihydrochloride
CAS Number
2011-48-5
MDL Number
MFCD06800897
PubChem SID
160978857
PubChem CID
22747476

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 22747476 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.54554844  LogD (pH = 7.4) 0.75327647 
Log P 0.7566876  Molar Refractivity 55.9715 cm3
Polarizability 17.539074 Å3 Polar Surface Area 47.28 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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