Home > Compound List > Compound details
162224382 molecular structure
click picture or here to close

nitric acid; urea

ChemBase ID: 130097
Molecular Formular: CH5N3O4
Molecular Mass: 123.0681
Monoisotopic Mass: 123.02800566
SMILES and InChIs

SMILES:
C(=O)(N)N.[N+](=O)(O)[O-]
Canonical SMILES:
NC(=O)N.[O-][N+](=O)O
InChI:
InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)
InChIKey:
AYTGUZPQPXGYFS-UHFFFAOYSA-N

Cite this record

CBID:130097 http://www.chembase.cn/molecule-130097.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nitric acid; urea
IUPAC Traditional name
acid, nitric; urea
Synonyms
Urea nitrate
PubChem SID
162224382
PubChem CID
31295
Wikipedia Title
Urea_nitrate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.731965  H Acceptors
H Donor LogD (pH = 5.5) -1.3638339 
LogD (pH = 7.4) -1.3638339  Log P -1.3638339 
Molar Refractivity 13.1426 cm3 Polarizability 5.02445 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
slightly soluble in water; soluble in alcohol expand Show data source
Melting Point
163°C expand Show data source
Density
1.69 g/cc expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

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