Home > Compound List > Compound details
23190-16-1 molecular structure
click picture or here to close

(1R,2S)-2-amino-1,2-diphenylethan-1-ol

ChemBase ID: 67999
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
[C@H]([C@H](c1ccccc1)N)(c1ccccc1)O
Canonical SMILES:
N[C@H]([C@@H](c1ccccc1)O)c1ccccc1
InChI:
InChI=1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m0/s1
InChIKey:
GEJJWYZZKKKSEV-UONOGXRCSA-N

Cite this record

CBID:67999 http://www.chembase.cn/molecule-67999.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2S)-2-amino-1,2-diphenylethan-1-ol
IUPAC Traditional name
(1R,2S)-2-amino-1,2-diphenylethanol
Synonyms
(1R,2S)-erythro-(-)-2-Amino-1,2-diphenylethanol
(1R,2S)-Diphenyl-2-aminoethanol
(1R,2S)-1,2-Diphenyl-2-aminoethanol
(1R,2S)-2-Amino-1,2-diphenylethanol
(αR,βS)-β-Amino-α-phenylbenzeneethanol
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
(1R,2S)-2-Amino-1,2-diphenylethanol
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
(1R,2S)-(-)-2-氨基-1,2-二苯乙醇
(1R,2S)-(-)-2-氨基-1,2-二苯基乙醇
CAS Number
23190-16-1
MDL Number
MFCD00074960
Beilstein Number
2806218
PubChem SID
162033731
24860006
PubChem CID
719819

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.783489  H Acceptors
H Donor LogD (pH = 5.5) -0.67245746 
LogD (pH = 7.4) 0.57994777  Log P 2.2529194 
Molar Refractivity 64.7767 cm3 Polarizability 25.791145 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
141-143°C expand Show data source
142-144 °C(lit.) expand Show data source
142-144°C expand Show data source
142-145 °C expand Show data source
Optical Rotation
[α]20/D -7±1°, c = 0.6% in ethanol expand Show data source
[α]25/D -7.0°, c = 0.6 in ethanol expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.0% (NT) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5CH(NH2)CH(C6H5)OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 331899 external link
Packaging
1, 5 g in glass bottle
Application
Chiral auxiliary used for Pd(II)-assisted chiral tandem alkylation and carbonylative coupling reactions.1,2
Sigma Aldrich - 07930 external link
Other Notes
Chiral auxiliary used for Pd(II)-assisted chiral tandem alkylation/carbonylative coupling reactions1,2
Toronto Research Chemicals - A607880 external link
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol is a hydroxylated 1,2-diphenethylamine derivative with affinity for the NMDA receptor.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Berger, M.L. et al.: Bioorg. Med. Chem., 17, 3456 (2009)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle