Home > Compound List > Compound details
618-39-3 molecular structure
click picture or here to close

benzenecarboximidamide

ChemBase ID: 2828
Molecular Formular: C7H8N2
Molecular Mass: 120.15182
Monoisotopic Mass: 120.06874827
SMILES and InChIs

SMILES:
NC(=N)c1ccccc1
Canonical SMILES:
NC(=N)c1ccccc1
InChI:
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKey:
PXXJHWLDUBFPOL-UHFFFAOYSA-N

Cite this record

CBID:2828 http://www.chembase.cn/molecule-2828.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzenecarboximidamide
IUPAC Traditional name
benzamidine
Synonyms
Benzamidine
Benzamidine
苯甲脒
CAS Number
618-39-3
EC Number
210-546-3
MDL Number
MFCD00042826
Beilstein Number
606020
PubChem SID
24847427
46504844
160966276
PubChem CID
2332
444655
CHEBI ID
41033
CHEMBL
20936
Chemspider ID
2242
KEGG ID
C01784
Wikipedia Title
Benzamidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
12072 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -1.5216389  LogD (pH = 7.4) -1.513437 
Log P 0.8937143  Molar Refractivity 47.7305 cm3
Polarizability 14.029147 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P -0.8  LOG S -1.64 
Solubility (Water) 3.57e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
65-70 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Gene Information
human ... F10(2159), F2(2147), PLAT(5327), PLAU(5328), PLG(5340), PRSS1(5644) expand Show data source
Purity
≥95.0% (NT) expand Show data source
Linear Formula
C6H5C(=NH)NH2 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
DrugBank - DB03127 external link
Drug information: experimental
Sigma Aldrich - 12072 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
10, 50 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