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14401-51-5 molecular structure
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hydrogen 4-chlorobenzene-1-carboximidamide chloride

ChemBase ID: 293881
Molecular Formular: C7H7Cl2N2-
Molecular Mass: 190.04988
Monoisotopic Mass: 188.99862859
SMILES and InChIs

SMILES:
c1c(C(=N)N)ccc(c1)Cl.[Cl-]
Canonical SMILES:
NC(=N)c1ccc(cc1)Cl.[Cl-]
InChI:
InChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H/p-1
InChIKey:
RXAOGVQDNBYURA-UHFFFAOYSA-M

Cite this record

CBID:293881 http://www.chembase.cn/molecule-293881.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hydrogen 4-chlorobenzene-1-carboximidamide chloride
IUPAC Traditional name
hydrogen chlorophenamidine chloride
Synonyms
4-Chlorobenzene-1-carboximidamide hydrochloride
CAS Number
14401-51-5
MDL Number
MFCD00126401
PubChem SID
180679412
PubChem CID
67031666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD4763 Please log in.
Data Source Data ID
PubChem 67031666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.917544  LogD (pH = 7.4) -0.9054954 
Log P 1.497759  Molar Refractivity 52.5353 cm3
Polarizability 15.886346 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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