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22429-12-5 molecular structure
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1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine

ChemBase ID: 132548
Molecular Formular: C10H15N2P
Molecular Mass: 194.213261
Monoisotopic Mass: 194.09728512
SMILES and InChIs

SMILES:
CN1CCN(P1c1ccccc1)C
Canonical SMILES:
CN1CCN(P1c1ccccc1)C
InChI:
InChI=1S/C10H15N2P/c1-11-8-9-12(2)13(11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey:
CYKFZCQRONDMOZ-UHFFFAOYSA-N

Cite this record

CBID:132548 http://www.chembase.cn/molecule-132548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
IUPAC Traditional name
1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
Synonyms
1,3-Dimethyl-2-phenyl-1,3,2-diazaphospholidine
1,3-二甲基-2-苯基-2-磷杂咪唑烷
CAS Number
22429-12-5
MDL Number
MFCD00043134
Beilstein Number
1073962
PubChem SID
162226825
PubChem CID
320708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D0413 external link Add to cart Please log in.
Data Source Data ID
PubChem 320708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.48267063  LogD (pH = 7.4) 1.2645423 
Log P 1.3008  Molar Refractivity 56.4921 cm3
Polarizability 22.749418 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
95 °C/0.7 mmHg(lit.) expand Show data source
Flash Point
105 °C expand Show data source
221 °F expand Show data source
Density
1.054 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.565(lit.) expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D0413 external link
Application
用于由 1,2-二醇立体定向合成烯烃的试剂。

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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