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88933-16-8 molecular structure
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N-[(4-hydrazinylphenyl)methyl]methanesulfonamide hydrochloride

ChemBase ID: 170034
Molecular Formular: C8H14ClN3O2S
Molecular Mass: 251.73366
Monoisotopic Mass: 251.04952538
SMILES and InChIs

SMILES:
c1cc(ccc1CNS(=O)(=O)C)NN.Cl
Canonical SMILES:
NNc1ccc(cc1)CNS(=O)(=O)C.Cl
InChI:
InChI=1S/C8H13N3O2S.ClH/c1-14(12,13)10-6-7-2-4-8(11-9)5-3-7;/h2-5,10-11H,6,9H2,1H3;1H
InChIKey:
JGVQANUCUQHHDI-UHFFFAOYSA-N

Cite this record

CBID:170034 http://www.chembase.cn/molecule-170034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-hydrazinylphenyl)methyl]methanesulfonamide hydrochloride
IUPAC Traditional name
N-[(4-hydrazinylphenyl)methyl]methanesulfonamide hydrochloride
Synonyms
4-Hydrazinyl-N-methylbenzenemethanesulfonamide Hydrochloride
4-Hydrazino-N-methyl Benzene Methanesulfonamide Hydrochloride Salt
CAS Number
88933-16-8
PubChem SID
164225944
PubChem CID
19921668

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H714350 external link Add to cart
PubChem 19921668 external link
Data Source Data ID Price
TRC
H714350 external link Add to cart Please log in.
Data Source Data ID
PubChem 19921668 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.68373  H Acceptors
H Donor LogD (pH = 5.5) -0.41884184 
LogD (pH = 7.4) -0.19914158  Log P -0.19545773 
Molar Refractivity 57.2829 cm3 Polarizability 21.907034 Å3
Polar Surface Area 84.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
160-162°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H714350 external link
4-Hydrazino-N-methylbenzenemethanesulfonamide is an intermediate for preparation of Sumatriptan (S810000).

REFERENCES

REFERENCES

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  • • Street, L., et al.: J. Med. Chem., 38, 1799 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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