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19501-58-7 molecular structure
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2-(4-methoxyphenyl)hydrazinium chloride

ChemBase ID: 302013
Molecular Formular: C7H11ClN2O
Molecular Mass: 174.62804
Monoisotopic Mass: 174.05599066
SMILES and InChIs

SMILES:
COc1ccc(cc1)N[NH3+].[Cl-]
Canonical SMILES:
[NH3+]Nc1ccc(cc1)OC.[Cl-]
InChI:
InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
InChIKey:
FQHCPFMTXFJZJS-UHFFFAOYSA-N

Cite this record

CBID:302013 http://www.chembase.cn/molecule-302013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)hydrazinium chloride
IUPAC Traditional name
2-(4-methoxyphenyl)hydrazinium chloride
Synonyms
4-Methoxyphenylhydrazine hydrochloride
4-甲氧苯基肼.盐酸盐
CAS Number
19501-58-7
EC Number
243-115-3
MDL Number
MFCD00012945
Beilstein Number
3566583

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.98453844  LogD (pH = 7.4) 1.2035685 
Log P 1.2072172  Molar Refractivity 52.4587 cm3
Polarizability 15.437285 Å3 Polar Surface Area 48.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 161°C dec. expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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