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151476-40-3 molecular structure
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tert-butyl N-(adamantan-1-yl)carbamate

ChemBase ID: 162460
Molecular Formular: C15H25NO2
Molecular Mass: 251.3645
Monoisotopic Mass: 251.18852905
SMILES and InChIs

SMILES:
C12CC3CC(C1)(CC(C2)C3)NC(=O)OC(C)(C)C
Canonical SMILES:
O=C(NC12CC3CC(C2)CC(C1)C3)OC(C)(C)C
InChI:
InChI=1S/C15H25NO2/c1-14(2,3)18-13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKey:
LSVGBVIPHLXQPG-UHFFFAOYSA-N

Cite this record

CBID:162460 http://www.chembase.cn/molecule-162460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(adamantan-1-yl)carbamate
IUPAC Traditional name
tert-butyl N-(adamantan-1-yl)carbamate
Synonyms
N-t-Butoxycarbonyl-1-adamantylamine
N-t-Boc-1-aminoadamantane
Tricyclo[3.3.1.13,7]dec-1-ylcarbamic Acid 1,1-Dimethylethyl Ester
N-t-Boc-1-adamantylamine
CAS Number
151476-40-3
PubChem SID
162256595
PubChem CID
4234802

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B600250 external link Add to cart
PubChem 4234802 external link
Data Source Data ID Price
TRC
B600250 external link Add to cart Please log in.
Data Source Data ID
PubChem 4234802 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.885754  H Acceptors
H Donor LogD (pH = 5.5) 2.958045 
LogD (pH = 7.4) 2.958045  Log P 2.958045 
Molar Refractivity 70.4086 cm3 Polarizability 28.071142 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B600250 external link
Intermediate for the preparation of Amantadine.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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