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1091606-67-5 molecular structure
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[(1S,2S)-2-amino-1,2-diphenylethyl]diphenylphosphane

ChemBase ID: 140719
Molecular Formular: C26H24NP
Molecular Mass: 381.449221
Monoisotopic Mass: 381.1646364
SMILES and InChIs

SMILES:
c1ccc(cc1)[C@@H]([C@H](c1ccccc1)P(c1ccccc1)c1ccccc1)N
Canonical SMILES:
N[C@H]([C@@H](P(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m0/s1
InChIKey:
MIPGTOGPLXZBQX-UIOOFZCWSA-N

Cite this record

CBID:140719 http://www.chembase.cn/molecule-140719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1S,2S)-2-amino-1,2-diphenylethyl]diphenylphosphane
IUPAC Traditional name
[(1S,2S)-2-amino-1,2-diphenylethyl]diphenylphosphane
Synonyms
(S,S)-(+)-2-Diphenylphosphino-1,2-diphenylethylamine
(1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine
(1S,2S)-2-(二苯基膦)-1,2-二苯乙胺
CAS Number
1091606-67-5
MDL Number
MFCD11045444
PubChem SID
162234959
PubChem CID
46177587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46177587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9750051  LogD (pH = 7.4) 3.9966588 
Log P 6.3639  Molar Refractivity 118.3885 cm3
Polarizability 47.199867 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
87-93 °C expand Show data source
87-93°C expand Show data source
Optical Rotation
[α]22/D +179°, c = 0.5 in chloroform expand Show data source
+179 (c=0.5 in chloroform) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 expand Show data source
26-37-60 expand Show data source
TSCA Listed
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-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97+% expand Show data source
Empirical Formula (Hill Notation)
C26H24NP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 697389 external link
Packaging
100 mg in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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