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15723-90-7 molecular structure
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4-nitrobenzene-1-carboximidamide hydrochloride

ChemBase ID: 90156
Molecular Formular: C7H8ClN3O2
Molecular Mass: 201.61032
Monoisotopic Mass: 201.03050419
SMILES and InChIs

SMILES:
NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
Canonical SMILES:
NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
InChI:
InChI=1S/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H
InChIKey:
CJXJAUKCHHAJQN-UHFFFAOYSA-N

Cite this record

CBID:90156 http://www.chembase.cn/molecule-90156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-nitrobenzene-1-carboximidamide hydrochloride
IUPAC Traditional name
4-nitrobenzenecarboximidamide hydrochloride
Synonyms
4-Nitrobenzenecarboximidamide hydrochloride
4-Nitrobenzimidamide hydrochloride
4-Nitrobenzamidine hydrochloride
4-nitrobenzene-1-carboximidamide hydrochloride
4-Nitro-benzenecarboximidamide Hydrochloride
4-Nitrobenzamidine, Hydrochloride
CAS Number
15723-90-7
MDL Number
MFCD00278833
PubChem SID
162077001
PubChem CID
170625

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5793138  LogD (pH = 7.4) -1.4209971 
Log P 0.83369845  Molar Refractivity 54.051 cm3
Polarizability 15.923403 Å3 Polar Surface Area 93.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Warm Water expand Show data source
Apperance
Pale Yellow to Pale Beige Solid expand Show data source
Melting Point
286-288°C expand Show data source
286-288°C expand Show data source
Hydrophobicity(logP)
0.718 expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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