3-(4-Methoxyphenyl)propanamide

HCID 697955
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
25413-27-8
Standard SMILES
COc1ccc(CCC(N)=O)cc1
InChIKey
KJTPQBNWEZJJBI-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
3-(4-Methoxyphenyl)propanamide
IUPAC
3-(4-methoxyphenyl)propanamide
English name
3-(4-METHOXYPHENYL)PROPIONAMIDE
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

3-(4-methoxyphenyl)propanamide25413-27-8DTXSID10351333RefChem:274752DTXCID003023993-(4-METHOXYPHENYL)PROPIONAMIDEBenzenepropanamide,4-methoxy-Benzenepropanamide, 4-methoxy-p-methoxylbenzyl-acetamide4-MethoxybenzenepropanamideOprea1_556414SCHEMBL1413843
Show more names
SCHEMBL2487562SCHEMBL15157327KJTPQBNWEZJJBI-UHFFFAOYSA-NMFCD00017149STK227513AKOS003362465FM707823-(4-methoxyphenyl)propionic acid amide

Database identifiers

CAS
25413-27-8
PubChem CID
697955
DTXSID
DTXSID10351333
Nikkaji
J2.087.159H

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
123 · 123-125 °C
Boiling point
380.5 · 380.5±25.0 °C(Predicted)
Density
1.095 · 1.095±0.06 g/cm3(Predicted)
pka
16.51 · 16.51±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
山东凡德医药科技有限公司0531-00000000 15552883993 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

Loading…