Basic information
- CAS
1126-71-2- Standard SMILES
CN(C)CCc1ccccc1- InChIKey
TXOFSCODFRHERQ-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Overview
N,N-Dimethylphenethylamine is a primary amine.
Names & identifiers
- Preferred name
- N,N-Dimethylphenylethylamine
- IUPAC
- N,N-dimethyl-2-phenylethanamine
- English name
- N,N-Dimethylphenethylamine
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
1126-71-2N,N-DimethylphenethylamineN,N-Dimethyl-2-phenylethanamineN,N-DimethylphenylethylamineDimethylphenethylamineBenzeneethanamine, N,N-dimethyl-N,N-DmpeaN,N-Dimethyl-2-phenylethylaminePhenethylamine, N,N-dimethyl-N,N-Dimethyl-2-phenethylamineDTXSID40150114I4C10U12C8
Show more names
Eria Jarensis ExtractEria JarensisN-PhenethyldimethylamineNSC 1849AURORA KA-7655DimethylaminoethylbenzeneN,N-DIMETHYL-N-PHENETHY...
NSC-1849AF2975RefChem:822627DTXCID4072605628-613-413X1WU55OQBenzenemethanamine, N,N,alpha-trimethyl-, (R)-dimethyl(1-phenylethyl)amine
Database identifiers
- CAS
1126-71-2- PubChem CID
- 25125
- DTXSID
DTXSID40150114- ChEMBL
CHEMBL46278
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Phenethylamines
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.898-0.904
Solubility
Soluble in water
Soluble (in ethanol)
Boiling Point183 °C
Refractive Index1.500-1.506
Physical DescriptionColourless to yellow liquid; Sweet fishy aroma
Physicochemical properties
- Melting point
- 143 °C · 143°C (estimate)
- Boiling point
- 207 · 207-212 °C (lit.)
- Density
- 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
- refractive index
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesN,N-Dimethyl-2-phenylethanamine is used in the study of photolytic decomposition products of UV-photoinitiators in food packaging. N,N-Dimethyl-2-phenylethanamine is also a useful reagent in organic synthesis.
Preparation methods
PreparationN,N-Dimethyl-2-phenylethylamine is synthesized by the reaction of phenethylamine with formaldehyde and formic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
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Related reactions
11 records
Compound notes
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