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1053658-84-6 molecular structure
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(2-aminoethyl)di-tert-butyl)phosphane

ChemBase ID: 135695
Molecular Formular: C10H24NP
Molecular Mass: 189.278021
Monoisotopic Mass: 189.1646364
SMILES and InChIs

SMILES:
CC(C)(C)P(CCN)C(C)(C)C
Canonical SMILES:
NCCP(C(C)(C)C)C(C)(C)C
InChI:
InChI=1S/C10H24NP/c1-9(2,3)12(8-7-11)10(4,5)6/h7-8,11H2,1-6H3
InChIKey:
DZDGRVHIUYIMDS-UHFFFAOYSA-N

Cite this record

CBID:135695 http://www.chembase.cn/molecule-135695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)di-tert-butyl)phosphane
IUPAC Traditional name
(2-aminoethyl)di-tert-butyl)phosphane
Synonyms
2-(Di-tert-butylphosphino)ethylamine
2-(二叔丁基膦)乙胺
CAS Number
1053658-84-6
MDL Number
MFCD11044862
PubChem SID
162229968
PubChem CID
57553001

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 57553001 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4041939  LogD (pH = 7.4) -1.484791 
Log P 1.0397  Molar Refractivity 62.7168 cm3
Polarizability 23.41728 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)
Density
0.879 expand Show data source
Refractive Index
1.4200 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Highly flammable Highly flammable (F+) expand Show data source
UN Number
2846 expand Show data source
UN2845 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
11-19-34-37 expand Show data source
17-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
9-16-20-23-26-33-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H314-H318-H335 expand Show data source
H250-H314 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501 expand Show data source
P222-P231-P280-P305 + P351 + P338-P310-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2846 4.2/PG 1 expand Show data source
Purity
10% w/w soln. in THF expand Show data source
Empirical Formula (Hill Notation)
C10H24NP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 697419 external link
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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