Home > Compound List > Compound details
2835-68-9 molecular structure
click picture or here to close

4-aminobenzamide

ChemBase ID: 52253
Molecular Formular: C7H8N2O
Molecular Mass: 136.15122
Monoisotopic Mass: 136.06366289
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)N)N
Canonical SMILES:
Nc1ccc(cc1)C(=O)N
InChI:
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey:
QIKYZXDTTPVVAC-UHFFFAOYSA-N

Cite this record

CBID:52253 http://www.chembase.cn/molecule-52253.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminobenzamide
IUPAC Traditional name
4-aminobenzamide
Synonyms
4-Aminobenzamide
4-Aminobenzamide
4-氨基苯甲酰胺
CAS Number
2835-68-9
EC Number
220-612-3
MDL Number
MFCD00007999
Beilstein Number
2079485
PubChem SID
162057016
24857167
PubChem CID
76079

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.327932  H Acceptors
H Donor LogD (pH = 5.5) -0.008310033 
LogD (pH = 7.4) -0.005081164  Log P -0.0050398437 
Molar Refractivity 39.8368 cm3 Polarizability 14.302226 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
181 - 183°C expand Show data source
181-183 °C(lit.) expand Show data source
181-183°C expand Show data source
182-184°C expand Show data source
Hydrophobicity(logP)
-0.252 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
20/22-36/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
38 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H315-H319-H332 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
98% expand Show data source
98+% expand Show data source
Linear Formula
H2NC6H4CONH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 284572 external link
Packaging
25, 100 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