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1196155-71-1 molecular structure
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(5-nitropyrimidin-2-yl)methanamine hydrochloride

ChemBase ID: 815495
Molecular Formular: C5H7ClN4O2
Molecular Mass: 190.58768
Monoisotopic Mass: 190.02575316
SMILES and InChIs

SMILES:
Cl.C(N)c1ncc(cn1)[N+](=O)[O-]
Canonical SMILES:
NCc1ncc(cn1)[N+](=O)[O-].Cl
InChI:
InChI=1S/C5H6N4O2.ClH/c6-1-5-7-2-4(3-8-5)9(10)11;/h2-3H,1,6H2;1H
InChIKey:
KRVOIFQKRYFZBO-UHFFFAOYSA-N

Cite this record

CBID:815495 http://www.chembase.cn/molecule-815495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-nitropyrimidin-2-yl)methanamine hydrochloride
IUPAC Traditional name
(5-nitropyrimidin-2-yl)methanamine hydrochloride
Synonyms
(5-nitropyrimidin-2-yl)methanamine hydrochloride
CAS Number
1196155-71-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37822 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37822 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4985392  LogD (pH = 7.4) -0.830152 
Log P -0.39887744  Molar Refractivity 37.0269 cm3
Polarizability 13.881681 Å3 Polar Surface Area 94.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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