Home > Compound List > Compound details
1185047-08-8 molecular structure
click picture or here to close

[(2,3-dichlorophenyl)(13C)formohydrazido](13C)methanimidamide

ChemBase ID: 167030
Molecular Formular: C8H8Cl2N4O
Molecular Mass: 249.06662968
Monoisotopic Mass: 248.01422593
SMILES and InChIs

SMILES:
c1(cccc(c1Cl)[13C](=O)NN[13C](=N)N)Cl
Canonical SMILES:
N[13C](=N)NN[13C](=O)c1cccc(c1Cl)Cl
InChI:
InChI=1S/C8H8Cl2N4O/c9-5-3-1-2-4(6(5)10)7(15)13-14-8(11)12/h1-3H,(H,13,15)(H4,11,12,14)/i7+1,8+1
InChIKey:
VCPDTPYRBILFCT-BFGUONQLSA-N

Cite this record

CBID:167030 http://www.chembase.cn/molecule-167030.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2,3-dichlorophenyl)(13C)formohydrazido](13C)methanimidamide
IUPAC Traditional name
[(2,3-dichlorophenyl)(13C)formohydrazido](13C)methanimidamide
Synonyms
2,3-Dichloro-benzoic Acid 2-(Aminoiminomethyl)hydrazide-13C2
2,3-Dichlorobenzamidyl Guanidine-13C2
CAS Number
1185047-08-8
PubChem SID
162261163
PubChem CID
45038962

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D431877 external link Add to cart
PubChem 45038962 external link
Data Source Data ID Price
TRC
D431877 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038962 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.295222  H Acceptors
H Donor LogD (pH = 5.5) -1.1023579 
LogD (pH = 7.4) -0.60133576  Log P 1.3008088 
Molar Refractivity 79.4976 cm3 Polarizability 21.94854 Å3
Polar Surface Area 91.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
197-199°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

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