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23190-17-2 molecular structure
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(1S,2S)-2-amino-1,2-diphenylethan-1-ol

ChemBase ID: 141034
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
c1ccc(cc1)[C@@H]([C@H](c1ccccc1)O)N
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-KBPBESRZSA-N

Cite this record

CBID:141034 http://www.chembase.cn/molecule-141034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2S)-2-amino-1,2-diphenylethan-1-ol
IUPAC Traditional name
(1S,2S)-2-amino-1,2-diphenylethanol
Synonyms
(S,S)-(-)-2-Amino-1,2-diphenylethanol
(S,S)-(-)-2-氨基-1,2-二苯基乙醇
CAS Number
23190-17-2
MDL Number
MFCD03093886
Beilstein Number
2806217
PubChem SID
162235270
PubChem CID
719821

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
671223 external link Add to cart Please log in.
Data Source Data ID
PubChem 719821 external link

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)
Melting Point
116-119 °C expand Show data source
Optical Rotation
[α]/D -124±3°, c = 0.87 in ethanol expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 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
≥99.5% (HPLC) expand Show data source
Optical Purity
enantiomeric excess: ≥99.0% (HPLC) expand Show data source
Linear Formula
C6H5CH(NH2)CH(C6H5)OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 671223 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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