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870703-63-2 molecular structure
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tert-butyl N-[(tert-butoxy)carbonyl]-N-(pyridin-2-yl)carbamate

ChemBase ID: 140795
Molecular Formular: C15H22N2O4
Molecular Mass: 294.34618
Monoisotopic Mass: 294.15795719
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N(c1ccccn1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N(c1ccccn1)C(=O)OC(C)(C)C)OC(C)(C)C
InChI:
InChI=1S/C15H22N2O4/c1-14(2,3)20-12(18)17(11-9-7-8-10-16-11)13(19)21-15(4,5)6/h7-10H,1-6H3
InChIKey:
QLOPVAOGSSBUEH-UHFFFAOYSA-N

Cite this record

CBID:140795 http://www.chembase.cn/molecule-140795.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(tert-butoxy)carbonyl]-N-(pyridin-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(tert-butoxycarbonyl)-N-(pyridin-2-yl)carbamate
Synonyms
2-(N,N-Bis(Boc-amino))pyridine
2-Pyridinylimidodicarbonic acid bis(1,1-dimethylethyl)ester
N,N-Di-Boc-2-aminopyridine
2-(N,N-双(叔丁氧羰基氨基))吡啶
2-吡啶基亚氨二碳酸双(1,1-二甲基乙基)酯
N,N-二-boc-2-氨基吡啶
CAS Number
870703-63-2
MDL Number
MFCD07784417
PubChem SID
24884399
162235035
PubChem CID
16218082

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
659096 external link Add to cart Please log in.
Data Source Data ID
PubChem 16218082 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.563236  LogD (pH = 7.4) 3.563241 
Log P 3.5632412  Molar Refractivity 77.7211 cm3
Polarizability 30.528778 Å3 Polar Surface Area 68.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
81-85 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C15H22N2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 659096 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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