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125687-18-5 molecular structure
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(2H5)phenylhydrazine

ChemBase ID: 176586
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
c1cccc(c1)NN
Canonical SMILES:
NNc1ccccc1
InChI:
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKey:
HKOOXMFOFWEVGF-UHFFFAOYSA-N

Cite this record

CBID:176586 http://www.chembase.cn/molecule-176586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H5)phenylhydrazine
IUPAC Traditional name
(2H5)phenylhydrazine
Synonyms
Phenyl-d5-hydrazine Monohydrochloride
Phenylhydrazine-d5 Hydrochloride
CAS Number
125687-18-5
PubChem SID
164232496
PubChem CID
12998543

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC P335082 external link Add to cart
PubChem 12998543 external link
Data Source Data ID Price
TRC
P335082 external link Add to cart Please log in.
Data Source Data ID
PubChem 12998543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1338776  LogD (pH = 7.4) 1.3610642 
Log P 1.3648884  Molar Refractivity 35.7647 cm3
Polarizability 12.928225 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P335082 external link
A labelled hydrazine derivative. Used in the synthesis of Verdazyl.

REFERENCES

REFERENCES

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  • • Hall, R.A., et al.: Eur. J. Pharm., 135, 193 (1987)
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PATENTS

PATENTS

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INTERNET

INTERNET

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