1-Phenethylamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
618-36-0- Standard SMILES
CC(N)c1ccccc1- InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 1-Phenethylamine
- IUPAC
- 1-phenylethanamine
- English name
- DL-alpha-Methylbenzylamine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
1-Phenylethanamine1-PhenylethylamineALPHA-METHYLBENZYLAMINEalpha-Phenylethylamine1-Phenethylaminealpha-Aminoethylbenzene1-Amino-1-phenylethane98-84-0alpha-Phenethylaminealpha-MethylbenzenemethanamineSumine 2079Ethanamine, 1-phenyl-
Show more names
α-Methylbenzylamine-aLALPHA-PEADL-1-PHENYLETHYLAMINEDL-A-PHENYLETHYLAMINEdl-à-methylbenzylamineDL-alfa-Methylbenzylamine(¬
Ethylamine, 1-phenyl-(1-Aminoethyl)benzeneBenzene, (1-amino-ethyl)-HZ9DM6B2MTBenzylamine, alpha-methyl-Benzenemethanamine, alpha-methyl-Benzenemethaneamine, alpha-methyl-NSC-8391
Database identifiers
- CAS
618-36-0、98-84-0- PubChem CID
- 7408
- DTXSID
DTXSID40862301- ChEMBL
CHEMBL278059- ChEBI
CHEBI:670- UNII
- HZ9DM6B2MT
- EC Number
- 202-706-6、210-545-8
- Nikkaji
- J66.056F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
LogP1.49
OdorMILD AMMONIACAL ODOR
Density0.9535 @ 20 °C/20 °C
Color/FormWATER-WHITE LIQ
Solubility
SOL IN MOST ORG SOLVENTS & HYDROCARBONS
42 mg/L at 20 °C
Flash Point
79.4 °C
175 °F (79 °C) OC
Boiling Point188.5 °C
Melting Point
-65 °C
< 25 °C
Vapor Density4.2 (AIR= 1)
Vapor Pressure
0.5 [mmHg]
0.5 MM HG @ 20 °C
Refractive Index
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H312: Harmful in contact with skin [Warning Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
Hazard information
Regulatory Information
Benzenemethanamine, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11009
1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS
Hazards Summary
Emergency treatment: Irritants; [HSDB] Corrosive to skin and eyes, based on animal studies; [CHEMINFO] A corrosive substance that may cause burns; [eChemPortal: ESIS] Causes burns; Harmful by ingestion or skin absorption; Inhalation may cause corrosive effects to the upper respiratory tract and lungs; [Aldrich MSDS]
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
Chemistry & industry
Pharmacology
Metabolism/MetabolitesDEMETHYLATION OF N-METHYLPHENYLALKYLAMINES BY RAT LIVER HOMOGENATES.
Cellular LocationsCytoplasm
Uses & manufacturing
Uses
Used for synthesis and as an emulsifying agent; [Hawley] Used as a resolving agent and chiral intermediate; [Merck Index]
SYNTHESIS; EMULSIFYING AGENT
U.S. Production2023: 250,000 - <550,000 lb；2022: 550,000 - <1,000,000 lb；2021: 250,000 - <550,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Methods of ManufacturingPREPARED BY REDUCTION OF ACETOPHENONE IN LIQUID AMMONIA: ROBINSON, SNYDER, ORG SYN COLL VOL III, 717 (1955).
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenemethanamine, .alpha.-methyl-: ACTIVE
Applications
UsesUsed for synthesis and as an emulsifying agent; used as a resolving agent and chiral intermediate.
Usesα-Methylbenzylamine can be used as a reactant for the synthesis of dihydro-5H-dibenz[c,e]azepinium salts by reacting with racemic biphenol derivatives.
General Descriptionα-Methylbenzylamine is a nitrogen source that is widely used as a representative substrate to study the chemo-enzymatic kinetic resolution of primary amines.
Upstream & downstream products
Related reactions
314 records
Compound notes
Loading…