N-Acetyl-3,4-dimethoxyphenethylamine
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Basic information
- CAS
6275-29-2- 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 propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
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
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Upstream raw materials
Additional notes
DefinitionChEBI: N-Acetylhomoveratrylamine is a member of acetamides.
Related reactions
9 records
Compound notes
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