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67659-36-3 molecular structure
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(2R)-1,1-diphenylpropan-2-amine

ChemBase ID: 148447
Molecular Formular: C15H17N
Molecular Mass: 211.30218
Monoisotopic Mass: 211.13609955
SMILES and InChIs

SMILES:
C[C@H](C(c1ccccc1)c1ccccc1)N
Canonical SMILES:
C[C@H](C(c1ccccc1)c1ccccc1)N
InChI:
InChI=1S/C15H17N/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,16H2,1H3/t12-/m1/s1
InChIKey:
XNKICCFGYSXSAI-GFCCVEGCSA-N

Cite this record

CBID:148447 http://www.chembase.cn/molecule-148447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1,1-diphenylpropan-2-amine
IUPAC Traditional name
(2R)-1,1-diphenylpropan-2-amine
Synonyms
(R)-(+)-1,1-Diphenyl-2-aminopropane
(2R)-1,1-diphenylpropan-2-amine
(R)-1-Methyl-2,2-diphenyl-ethylamine
(R)-(+)-1,1-二苯基-2-氨基丙烷
CAS Number
67659-36-3
MDL Number
MFCD03093551
PubChem SID
162242622
24874694
PubChem CID
16213856

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16213856 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2864836  LogD (pH = 7.4) 0.8806947 
Log P 3.3030274  Molar Refractivity 68.2718 cm3
Polarizability 27.008162 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
77-80 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +16°, c = 1 in chloroform expand Show data source
Hydrophobicity(logP)
3.18 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
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C15H17N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 549495 external link
Packaging
500 mg in glass bottle
Legal Information
Product of Onyx Scientific, U.K.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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