N-Acetyl-3,4-dimethoxyphenethylamine

HCID 80465CAS 6275-29-2
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Basic information

Standard SMILES
COc1ccc(CCNC(C)=O)cc1OC
InChIKey
WEQRLEDPPGQGOP-UHFFFAOYSA-N
Molecular formula
C12H17NO3
Average molar mass
223.27 g/mol
Monoisotopic mass
223.1208434

Overview

N-Acetylhomoveratrylamine is a member of acetamides.

Names & identifiers

Preferred name
N-Acetyl-3,4-dimethoxyphenethylamine
IUPAC
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
English name
N-(3,4-Dimethoxyphenethyl)acetamide
Molecular formula
C12H17NO3
Molecular weight
223.27

Names & synonyms

N-AcetylhomoveratrylamineN-(3,4-Dimethoxyphenethyl)acetamide6275-29-2N-[2-(3,4-Dimethoxyphenyl)ethyl]acetamideN-Acetyl-3,4-dimethoxyphenethylamineNSC 33790ZTI2KRG9EQAcetamide, N-(3,4-dimethoxyphenethyl)-NSC 34977NSC-33790NSC-34977AI3-31511
Show more names
AURORA KA-3337Dopamine Hydrochloride Impurity 164
DTXSID70211823Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)ACETAMIDEN-ACETYL-2-(3,4-DIMETHOXYPHENYL)ETHANAMINERefChem:828852DTXCID00134314Acetamide, N-(3,4-dimethoxyphenethyl)-(8CI)

Database identifiers

CAS
6275-29-2
PubChem CID
80465
DTXSID
DTXSID70211823
ChEMBL
CHEMBL50311
ChEBI
CHEBI:182287
UNII
ZTI2KRG9EQ
EC Number
688-682-1
Nikkaji
J104.540G

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
16

Physicochemical properties

Melting point
57.5 · 57.5-59 °C
Boiling point
225 · 225-230 °C(Press: 10 Torr)
Density
1.067 · 1.067±0.06 g/cm3(Predicted)
pka
16.17 · 16.17±0.46(Predicted)
FDA UNII
2 KRG9EQ · ZTI2KRG9EQ
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Suppliers13 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]

Additional notes

DefinitionChEBI: N-Acetylhomoveratrylamine is a member of acetamides.

Related reactions

9 records
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Linked notes

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