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1212059-24-9 molecular structure
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tert-butyl N-[1-(hydroxyimino)-2-methylpropan-2-yl]carbamate

ChemBase ID: 798803
Molecular Formular: C9H18N2O3
Molecular Mass: 202.25082
Monoisotopic Mass: 202.13174245
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)C(C=NO)(C)C
Canonical SMILES:
ON=CC(NC(=O)OC(C)(C)C)(C)C
InChI:
InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4,5)6-10-13/h6,13H,1-5H3,(H,11,12)
InChIKey:
DKOMMBYFEOEXPK-UHFFFAOYSA-N

Cite this record

CBID:798803 http://www.chembase.cn/molecule-798803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[1-(hydroxyimino)-2-methylpropan-2-yl]carbamate
IUPAC Traditional name
tert-butyl N-[1-(hydroxyimino)-2-methylpropan-2-yl]carbamate
Synonyms
tert-butyl 1-(hydroxyimino)-2-methylpropan-2-ylcarbamate
CAS Number
1212059-24-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12295 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12295 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.132153  H Acceptors
H Donor LogD (pH = 5.5) 1.196516 
LogD (pH = 7.4) 1.1890389  Log P 1.1970155 
Molar Refractivity 52.9799 cm3 Polarizability 20.67405 Å3
Polar Surface Area 70.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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