N-[2-(3,4-dimethoxyphenyl)ethyl]formamide

HCID 84337CAS 14301-36-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCNC=O)cc1OC
InChIKey
WUZNVFUYFDVUIC-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol
Monoisotopic mass
209.10519334

Names & identifiers

Preferred name
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
IUPAC
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
English name
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
Molecular formula
C11H15NO3
Molecular weight
209.24

Names & synonyms

14301-36-1n-[2-(3,4-dimethoxyphenyl)ethyl]formamideN-(2-(3,4-Dimethoxyphenyl)ethyl)formamideFUW3C3X3G3EINECS 238-237-9NSC 34982NSC-34982UNII-FUW3C3X3G3AI3-31516DTXSID20162290Formamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-FORMYL-2-(3,4-DIMETHOXYPHENYL)ETHYLAMINE
Show more names
[2-(3,4-Dimethoxyphenyl)ethyl]formamideN-[2-(3,4-dimethoxyphenyl)ethyl]methanamide
FORMAMIDE, N-(3,4-DIMETHOXYPHENETHYL)-Formamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-RefChem:161587DTXCID4084781238-237-9N-(3,4-dimethoxyphenethyl)formamideMFCD03012208NSC34982

Database identifiers

CAS
14301-36-1
PubChem CID
84337
DTXSID
DTXSID20162290
UNII
FUW3C3X3G3
EC Number
238-237-9
Nikkaji
J216.954A

Properties

Computed structural properties

XLogP
1
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Melting point
34 · 34-35 °C
Boiling point
210 · 210-212 °C(Press: 1 Torr)
Density
1.084 · 1.084±0.06 g/cm3(Predicted)
solubility
Chloroform (Slightly), DMSO (Slightly)
form
Low-Melting Solid
pka
16.04 · 16.04±0.23(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationStatus: Active Update: 18-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17006
Hazard Classes and CategoriesNot Classified

Safety data

hs_code
2924297099
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-(3,4-Dimethoxyphenethyl)formamide is an impurity of Tetrabenazine (T284000), an antipsychotic.

Upstream & downstream products

Downstream products

Suppliers36 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

Loading…