Basic information
- CAS
56613-80-0- Standard SMILES
NC(CO)c1ccccc1- InChIKey
IJXJGQCXFSSHNL-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
Overview
a beta2 adrenoceptor agonist
Names & identifiers
- Preferred name
- 2-Amino-2-phenylethanol
- IUPAC
- 2-amino-2-phenylethanol
- English name
- D-Phenylglycinol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-Amino-2-phenylethanolRefChem:9095107568-92-52-PhenylglycinolDL-PhenylglycinolDL-2-Phenylglycinol2-Phenyl-DL-glycinolbeta-Aminophenethyl alcohol2-Amino-2-phenyl-ethanolD-PlenylglycinolMFCD00130145(RS)-2-phenylglycinol
Show more names
(R)-PHENYLGLYCINOLD-PHENYLGLYCINOL(R)-(-)-2-Phenylglycinol(R)-2-AMINO-2-PHENYLETHANOL(2R)-2-Amino-2-phenylethan-1-olD-PHG-OLycinoLAVAC-012H-D-PHG-OL
CHEMBL280690NSC617248AKOS005265260AC-24149l-(+)-a-phenylglycinolOSM-S-341L-(+)-alpha-PhenylglycinolBenzeneethanol, .beta.-amino-, (R)-
Database identifiers
- CAS
56613-80-0、7568-92-5- PubChem CID
- 92466
- ChEMBL
CHEMBL280690- Nikkaji
- J81.420B
Properties
Computed structural properties
- 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
- peptide synthesis
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
69 records
Compound notes
Loading…