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1260637-16-8 molecular structure
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tert-butyl 3-amino-4-hydroxyazocane-1-carboxylate

ChemBase ID: 799794
Molecular Formular: C12H24N2O3
Molecular Mass: 244.33056
Monoisotopic Mass: 244.17869264
SMILES and InChIs

SMILES:
N1(CC(C(CCCC1)O)N)C(=O)OC(C)(C)C
Canonical SMILES:
OC1CCCCN(CC1N)C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-7-5-4-6-10(15)9(13)8-14/h9-10,15H,4-8,13H2,1-3H3
InChIKey:
OBYIJEAGPMYSLD-UHFFFAOYSA-N

Cite this record

CBID:799794 http://www.chembase.cn/molecule-799794.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-amino-4-hydroxyazocane-1-carboxylate
IUPAC Traditional name
tert-butyl 3-amino-4-hydroxyazocane-1-carboxylate
Synonyms
tert-butyl 3-amino-4-hydroxyazocane-1-carboxylate
CAS Number
1260637-16-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14826 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14826 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -0.87888634  Log P 0.57312906 
Molar Refractivity 65.413 cm3 Polarizability 26.169937 Å3
Polar Surface Area 75.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 14.569577 
H Acceptors H Donor
LogD (pH = 5.5) -2.2886426 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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