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314062-46-9 molecular structure
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(2R,3S)-2,3-diphenyl-1-propylaziridine

ChemBase ID: 151388
Molecular Formular: C17H19N
Molecular Mass: 237.33946
Monoisotopic Mass: 237.15174961
SMILES and InChIs

SMILES:
CCCN1[C@@H]([C@@H]1c1ccccc1)c1ccccc1
Canonical SMILES:
CCCN1[C@H]([C@H]1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C17H19N/c1-2-13-18-16(14-9-5-3-6-10-14)17(18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17+,18?
InChIKey:
BLOUNKOJLURQAH-JWTNVVGKSA-N

Cite this record

CBID:151388 http://www.chembase.cn/molecule-151388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S)-2,3-diphenyl-1-propylaziridine
IUPAC Traditional name
(2R,3S)-2,3-diphenyl-1-propylaziridine
Synonyms
cis-2,3-Diphenyl-1-propylaziridine
顺-2,3-联苯基-1-丙基氮丙啶
CAS Number
314062-46-9
MDL Number
MFCD00274268
PubChem SID
24868676
162245542
PubChem CID
11817240

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
452076 external link Add to cart Please log in.
Data Source Data ID
PubChem 11817240 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 75.8573 cm3 Polarizability 30.032703 Å3
Polar Surface Area 3.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.7387817 
LogD (pH = 7.4) 4.443313  Log P 4.4664555 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
55-57 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
97% expand Show data source
Contains
1-3% sodium hydroxide as inhibitor expand Show data source
Empirical Formula (Hill Notation)
C17H19N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 452076 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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