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616875-90-2 molecular structure
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tert-butyl decahydro-1,6-naphthyridine-6-carboxylate

ChemBase ID: 799676
Molecular Formular: C13H24N2O2
Molecular Mass: 240.34186
Monoisotopic Mass: 240.18377802
SMILES and InChIs

SMILES:
C1CNC2CCN(CC2C1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2C(C1)CCCN2)OC(C)(C)C
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11-10(9-15)5-4-7-14-11/h10-11,14H,4-9H2,1-3H3
InChIKey:
WHVRANRQYMSGMH-UHFFFAOYSA-N

Cite this record

CBID:799676 http://www.chembase.cn/molecule-799676.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl decahydro-1,6-naphthyridine-6-carboxylate
IUPAC Traditional name
tert-butyl octahydro-1H-1,6-naphthyridine-6-carboxylate
Synonyms
tert-butyl octahydro-1,6-naphthyridine-6(7H)-carboxylate
CAS Number
616875-90-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14521 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14521 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0469172  LogD (pH = 7.4) -1.5842565 
Log P 1.1844321  Molar Refractivity 67.1307 cm3
Polarizability 26.645468 Å3 Polar Surface Area 41.57 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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