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56468-67-8 molecular structure
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[3-(benzyloxy)phenyl]hydrazine hydrochloride

ChemBase ID: 91217
Molecular Formular: C13H15ClN2O
Molecular Mass: 250.724
Monoisotopic Mass: 250.08729079
SMILES and InChIs

SMILES:
N(c1cc(ccc1)OCc1ccccc1)N.Cl
Canonical SMILES:
NNc1cccc(c1)OCc1ccccc1.Cl
InChI:
InChI=1S/C13H14N2O.ClH/c14-15-12-7-4-8-13(9-12)16-10-11-5-2-1-3-6-11;/h1-9,15H,10,14H2;1H
InChIKey:
MMMGCMOISVZVKZ-UHFFFAOYSA-N

Cite this record

CBID:91217 http://www.chembase.cn/molecule-91217.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(benzyloxy)phenyl]hydrazine hydrochloride
IUPAC Traditional name
[3-(benzyloxy)phenyl]hydrazine hydrochloride
Synonyms
3-Benzyloxyphenylhydrazine hydrochloride
CAS Number
56468-67-8
MDL Number
MFCD02258768
PubChem SID
162077921
PubChem CID
12891839

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12891839 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.733967  LogD (pH = 7.4) 2.9285479 
Log P 2.9316902  Molar Refractivity 66.8405 cm3
Polarizability 25.018675 Å3 Polar Surface Area 47.28 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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