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1053659-75-8 molecular structure
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N-(1,1-diethoxyethyl)(tert-butoxy)carbohydrazide

ChemBase ID: 141516
Molecular Formular: C11H24N2O4
Molecular Mass: 248.31926
Monoisotopic Mass: 248.17360726
SMILES and InChIs

SMILES:
CCOC(C)(N(C(=O)OC(C)(C)C)N)OCC
Canonical SMILES:
CCOC(N(C(=O)OC(C)(C)C)N)(OCC)C
InChI:
InChI=1S/C11H24N2O4/c1-7-15-11(6,16-8-2)13(12)9(14)17-10(3,4)5/h7-8,12H2,1-6H3
InChIKey:
CNGTWHVGDGACIE-UHFFFAOYSA-N

Cite this record

CBID:141516 http://www.chembase.cn/molecule-141516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1,1-diethoxyethyl)(tert-butoxy)carbohydrazide
IUPAC Traditional name
N-(1,1-diethoxyethyl)tert-butoxycarbohydrazide
Synonyms
1-N-Boc-1-hydrazinoacetaldehyde diethyl acetal
1-N-Boc-1-肼基乙醛缩二乙醇
CAS Number
1053659-75-8
PubChem SID
162235750
PubChem CID
71310646

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
691917 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310646 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1513758  LogD (pH = 7.4) 2.1532977 
Log P 2.1533222  Molar Refractivity 65.949 cm3
Polarizability 25.752003 Å3 Polar Surface Area 74.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
0.995 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.438 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-36/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319 expand Show data source
GHS Precautionary statements
P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H24N2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 691917 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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