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31140-42-8 molecular structure
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tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate

ChemBase ID: 806571
Molecular Formular: C10H16N2O4
Molecular Mass: 228.24504
Monoisotopic Mass: 228.111007
SMILES and InChIs

SMILES:
C1CC(=O)NC(=O)C1NC(=O)OC(C)(C)C
Canonical SMILES:
O=C1CCC(C(=O)N1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKey:
TUGRLMXVKASPTN-UHFFFAOYSA-N

Cite this record

CBID:806571 http://www.chembase.cn/molecule-806571.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate
IUPAC Traditional name
tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate
Synonyms
3-BOC-AMINO-2,6-DIOXOPIPERIDINE
CAS Number
31140-42-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24295 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24295 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 54.9051 cm3 Polarizability 21.729624 Å3
Polar Surface Area 84.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 11.607124 
H Acceptors H Donor
LogD (pH = 5.5) -0.03475356  LogD (pH = 7.4) -0.034779824 
Log P -0.034753226 

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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