Home > Compound List > Compound details
621-79-4 molecular structure
click picture or here to close

(2E)-3-phenylprop-2-enamide

ChemBase ID: 43025
Molecular Formular: C9H9NO
Molecular Mass: 147.17386
Monoisotopic Mass: 147.06841391
SMILES and InChIs

SMILES:
C(=O)(/C=C/c1ccccc1)N
Canonical SMILES:
NC(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey:
APEJMQOBVMLION-VOTSOKGWSA-N

Cite this record

CBID:43025 http://www.chembase.cn/molecule-43025.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-3-phenylprop-2-enamide
3-phenylprop-2-enamide
IUPAC Traditional name
cinnamamide
3-phenylprop-2-enamide
Synonyms
Cinnamamide, predominantly trans
3-Phenylacrylamide
CINNAMAMIDE
3-Phenyl-2-propenamide
Cinnamamide
3-Phenylacrylamide
肉桂酰胺,主要为反式
肉桂酰胺, 主体成分为反式
CAS Number
621-79-4
22031-64-7
EC Number
210-707-8
MDL Number
MFCD00008033
Beilstein Number
2040577
PubChem SID
162047788
24893019
PubChem CID
5273472

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.527065  H Acceptors
H Donor LogD (pH = 5.5) 1.3291427 
LogD (pH = 7.4) 1.3291436  Log P 1.3291436 
Molar Refractivity 44.8821 cm3 Polarizability 16.897972 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
145-149°C expand Show data source
146-150 °C expand Show data source
148-150 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
GD6853000 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
GHS Precautionary statements
P264-P270-P301+P312-P330-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5CH=CHCONH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C80806 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Transamidation with acetonitrile in the presence of formaldehyde and formic acid under mild conditions gives cinnamonitrile in 87% yield: J. Org. Chem., 61, 6486 (1996). For further details, see Benzamide, A10501.
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle