Home > Compound List > Compound details
4214-76-0 molecular structure
click picture or here to close

5-nitropyridin-2-amine

ChemBase ID: 68144
Molecular Formular: C5H5N3O2
Molecular Mass: 139.1121
Monoisotopic Mass: 139.03817642
SMILES and InChIs

SMILES:
c1(ccc(cn1)[N+](=O)[O-])N
Canonical SMILES:
Nc1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
InChIKey:
UGSBCCAHDVCHGI-UHFFFAOYSA-N

Cite this record

CBID:68144 http://www.chembase.cn/molecule-68144.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-nitropyridin-2-amine
IUPAC Traditional name
2-pyridinamine, 5-nitro-
Synonyms
2-Amino-5-nitropyridine
2-Amino-5-nitropyridine
5-nitropyridin-2-amine
5-Nitropyridin-2-amine
2-氨基-5-硝基吡啶
CAS Number
4214-76-0
67476-67-9
EC Number
224-145-6
MDL Number
MFCD00006325
Beilstein Number
120353
PubChem SID
162033876
24846236
24891171
PubChem CID
77888

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.46102595  LogD (pH = 7.4) 0.46108836 
Log P 0.46108916  Molar Refractivity 35.2355 cm3
Polarizability 12.52684 Å3 Polar Surface Area 82.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 19.59554 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
185-190°C expand Show data source
186-188 °C(lit.) expand Show data source
186-188°C expand Show data source
Flash Point
224°C(435°F) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95.0% (NT) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H5N3O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203582 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A70801 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle