Home > Compound List > Compound details
38184-47-3 molecular structure
click picture or here to close

3,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid

ChemBase ID: 82709
Molecular Formular: C6H11N5O3
Molecular Mass: 201.18324
Monoisotopic Mass: 201.08618924
SMILES and InChIs

SMILES:
n1(C(=N)N)nc(C)cc1C.[N+](=O)([O-])O
Canonical SMILES:
Cc1cc(nn1C(=N)N)C.[O-][N+](=O)O
InChI:
InChI=1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)
InChIKey:
AGYXIUAGBLMBGV-UHFFFAOYSA-N

Cite this record

CBID:82709 http://www.chembase.cn/molecule-82709.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid
IUPAC Traditional name
3,5-dimethylpyrazole-1-carboximidamide; nitric acid
3,5-dimethylpyrazole-1-carboximidamide; acid, nitric
Synonyms
3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate
1-Amidino-3,5-dimethylpyrazole nitrate
3,5-Dimethylpyrazole-1-carboxamidine nitrate
3,5-Dimethyl-1-pyrazolylformaminidium nitrate
1-Amidino-3,5-dimethylpyrazole nitrate salt
3,5-Dimethylpyrazole-1-carboxamidine nitrate salt
3,5-Dimethyl-1-pyrazolylformamidinium nitrate
3,5-二甲基-1-吡唑硝酸甲脒
3,5-二甲基吡唑-1-甲脒硝酸盐
3,5-二甲基吡唑-1-硝酸咪
1-Amidino-3,5-dimethylpyrazole 硝酸盐
3,5-二甲基吡唑-1-甲脒 硝酸盐
3,5-二甲基吡唑-1-硝酸脒
CAS Number
38184-47-3
EC Number
253-815-0
MDL Number
MFCD00012715
Beilstein Number
3599170
PubChem SID
24866002
162069828
24893552
PubChem CID
198186

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 198186 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.692648  LogD (pH = 7.4) -2.6323001 
Log P -0.27801362  Molar Refractivity 60.6426 cm3
Polarizability 14.371986 Å3 Polar Surface Area 67.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
167-168 °C (dec.)(lit.) expand Show data source
RTECS
UQ6380000 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
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (NT) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C6H10N4 · HNO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D182257 external link
Packaging
25 g in poly bottle
Application
Guanylating reagent for amines.1
Sigma Aldrich - 41545 external link
Other Notes
Modification of amino acids and proteins by formation of guanidino groups from amines1

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