trans-Cinnamamide

HCID 5273472CAS 22031-64-7
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)/C=C/c1ccccc1
InChIKey
APEJMQOBVMLION-VOTSOKGWSA-N
Molecular formula
C9H9NO
Average molar mass
147.17 g/mol
Monoisotopic mass
147.06841391

Overview

Cinnamamide is the simplest member of the class of cinnamamides that consists of acrylamide bearing a phenyl substituent at the 3-position.

Names & identifiers

Preferred name
trans-Cinnamamide
IUPAC
(E)-3-phenylprop-2-enamide
English name
Cinnamamide
Molecular formula
C9H9NO
Molecular weight
147.17

Names & synonyms

trans-Cinnamamide22031-64-7(E)-3-phenylprop-2-enamideCinnamamide, (E)-Y0JET56H7NNSC-32953NSC-244944CHEBI:76320U-2422RefChem:1100260679-596-5CINNAMAMIDE
Show more names
rans-cinnamamideNsc 244944Mitomycin impurityTIMTEC-BB SBB004096trans-Cinnamoylaminetrans-Cinnamamide >(E)-3-PhenylacrylamideCinnamamide, (E)- (8ci)
(E)-Cinnamamide3-Phenylacrylamidetrans-3-Phenylacrylamide3-PhenylpropenamideCinnamic amide3-Phenyl-2-propenamide(2E)-3-Phenyl-2-propenamideCinnamide

Database identifiers

CAS
22031-64-7、621-79-4
PubChem CID
5273472
DTXSID
DTXSID901035045
ChEMBL
CHEMBL5280551
ChEBI
CHEBI:23246
UNII
Y0JET56H7N
EC Number
679-596-5
Nikkaji
J29.512D、J75.156A

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity
LogP1.42

Physicochemical properties

Melting point
148 · 148-150 °C(lit.)
Boiling point
350.3 · 350.3±25.0 °C(Predicted)
Density
1.121 · 1.121±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
almost transparency in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
rtecs
GD6853000
hs_code
2924.29.9500
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Usestrans-Cinnamamide is used in the used in the synthesis of U-77863 and U-77864 as it has antitumor activity.

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: The E (trans) isomer of cinnamamide.

Related reactions

14 records
New reaction record

Linked notes

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