1-Phenethylamine, (+)-
Basic information
- CAS
3886-69-9- Standard SMILES
C[C@@H](N)c1ccccc1- InChIKey
RQEUFEKYXDPUSK-SSDOTTSWSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Overview
(1R)-1-phenylethanamine is the (R)-enantiomer of 1-phenylethanamine. It is a conjugate base of a (1R)-1-phenylethanaminium. It is an enantiomer of a (1S)-1-phenylethanamine.
Names & identifiers
- Preferred name
- 1-Phenethylamine, (+)-
- IUPAC
- (1R)-1-phenylethanamine
- English name
- (R)-(+)-1-Phenylethylamine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
3886-69-9(R)-(+)-1-Phenylethylamine(R)-(+)-alpha-MethylbenzylamineD-alpha-Methylbenzylamine1-Phenethylamine, (+)-d-1-phenylethylamineV022ZK8GZ5r-(+)-methylbenzylamine(r)-(+)-1-phenethylamineBenzenemethanamine, .alpha.-methyl-, (.alpha.R)-D-.ALPHA.-PHENETHYLAMINEEINECS 223-423-4
Show more names
(R)-1-phenylethan-1-amine(R)-1-PHENYLETHYLAMINER-(+)-ALPHA-PHENYLETHYLAMINE(1R)-1-PHENYLETHANAMINE(R)-1-phenethylamine(R)-(+)-α-MethylbenzylamineD-ALPHA-PHENYLETHYLAMINE(theta)-benzenemethanaminD-PHENYLETHYLAMINE
(R)-(+)-1-PHENYLETHANAMINEBenzenemethanamine, alpha-methyl-, (alphaR)-DTXSID80930735EC 223-423-4D-.ALPHA.-METHYLBENZYLAMINE.ALPHA.-METHYLBENZYLAMINE (+)-FORM [MI][R]-(+)-1-phenylethylamine(+)-phenylethylamine
Database identifiers
- CAS
3886-69-9- PubChem CID
- 643189
- DTXSID
DTXSID80930735- ChEMBL
CHEMBL19969- ChEBI
CHEBI:35322- UNII
- V022ZK8GZ5
- EC Number
- 223-423-4
- Nikkaji
- J45.982H
Properties
Computed structural properties
- 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
- 74.6
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless to light yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -10 °C · -10 °C
- alpha
- 40 · 40 º (neat)
- Boiling point
- 187 · 187-189 °C(lit.)
- Density
- 0.952 g/mL · 0.952 g/mL at 20 °C(lit.)
- vapor pressure
- 0.5 mm · 0.5 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.526(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 40 g/l · 40g/l
- form
- Liquid
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 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, 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)
Aggregated GHS information provided per 172 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenemethanamine, .alpha.-methyl-, (R)-
REACH registered substance: D-α-methylbenzylamine (EC: 223-423-4)
(R)-(+)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (98.8%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 3-10-23-34
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214980
- risk_code
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationBenzenemethanamine, .alpha.-methyl-, (.alpha.R)-: ACTIVE
Applications
Uses(R)-(+)-1-Phenylethylamine is a chiral amine used for the determination of the enantiomeric purity of acids.
Uses(R)-(+)-a-Methylbenzylamine also known as (R)-(+)-1-Phenylethylamine may be used in resolution of a chiral arylalkylamine involving high-conversion enantioselective condensation with capric acid followed by hydrolysis to yield corresponding (R)-(+)-amide.
General Description(R)-(+)-α-Methylbenzylamine is a chiral amine.
Upstream & downstream products
Downstream products
Related reactions
1,205 records
Compound notes
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