(R)-beta-aminophenethyl alcohol
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Basic information
- CAS
56613-80-0- Standard SMILES
N[C@@H](CO)c1ccccc1- InChIKey
IJXJGQCXFSSHNL-QMMMGPOBSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Overview
(R)-(-)-2-Phenylglycinol is an aralkylamine.
Names & identifiers
- Preferred name
- (R)-beta-aminophenethyl alcohol
- IUPAC
- (2R)-2-amino-2-phenylethanol
- English name
- D-Phenylglycinol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
56613-80-0(-)-phenylglycinol(R)-beta-Aminophenethyl alcoholDTXSID10205180EINECS 260-287-5RefChem:407383DTXCID10127671260-287-5D-Phenylglycinol(R)-(-)-2-Phenylglycinol(R)-2-Phenylglycinol(R)-2-Amino-2-phenylethanol
Show more names
D-PHG-OLycinoLAVAC-012H-D-PHG-OL
(2R)-2-amino-2-phenylethanol(2R)-2-Amino-2-Phenylethan-1-Ol(r)-phenylglycinol(R)-(-)-2-Amino-2-phenylethanolMFCD00008062(2R)-2-amino-2-phenyl-ethanolD-Plenylglycinol(R)-2-amino-2-phenylethan-1-ol
Database identifiers
- CAS
56613-80-0- PubChem CID
- 2724025
- DTXSID
DTXSID10205180- ChEMBL
CHEMBL1907936- ChEBI
CHEBI:180555- UNII
- ZKT57P3QLR
- EC Number
- 260-287-5
- Nikkaji
- J35.844D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.3
Physicochemical properties
- Melting point
- 76 · 76-79 °C
- alpha
- -25.5 · -25.5 º (c=6,MeOH)
- Boiling point
- 252.03 °C · 252.03°C (rough estimate)
- Density
- 1.063 · 1.0630 (rough estimate)
- refractive index
- -29.5 ° · -29.5 ° (C=1, EtOH)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Aqueous Acid (Slightly, Sonicated), Chloroform (Sparingly, Heated), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 12.51 · 12.51±0.10(Predicted)
- color
- White to yellow
- optical activity
- 24 · [α]24/D 31.7°, c = 0.76 in 1 M HCl
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air Sensitive
- BRN
- 2935848 · 2935848
- Major Application
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
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 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24477
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 2-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29221980
- risk_code
- 34-36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,T
- safety_code
- 22-24/25-45-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Applications
UsesA chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid.
Preparation methods
PreparationD-Phenylglycinol was synthesized by reducing D-phenylglycine using a sodium borohydride-iodine system. The best reaction conditions were using tetrahydrofuran as the solvent, a 1:2 ratio of D-phenylglycine to sodium borohydride, a hydrolysis temperature of 50°C, and a reaction time of 20 hours.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
113 records
Compound notes
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