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154748-63-7 molecular structure
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tert-butyl N-(3-hydroxycyclobutyl)carbamate

ChemBase ID: 63327
Molecular Formular: C9H17NO3
Molecular Mass: 187.23618
Monoisotopic Mass: 187.12084341
SMILES and InChIs

SMILES:
C(=O)(OC(C)(C)C)NC1CC(O)C1
Canonical SMILES:
OC1CC(C1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKey:
WSUMHFNEPOYLJM-UHFFFAOYSA-N

Cite this record

CBID:63327 http://www.chembase.cn/molecule-63327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(3-hydroxycyclobutyl)carbamate
IUPAC Traditional name
tert-butyl N-(3-hydroxycyclobutyl)carbamate
Synonyms
tert-Butyl 3-hydroxycyclobutylcarbamate
tert-butyl N-(3-hydroxycyclobutyl)carbamate
CAS Number
154748-63-7
MDL Number
MFCD11501030
PubChem SID
162029066
PubChem CID
22594430

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22594430 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.824171  H Acceptors
H Donor LogD (pH = 5.5) 0.24446519 
LogD (pH = 7.4) 0.24446517  Log P 0.24446519 
Molar Refractivity 48.1863 cm3 Polarizability 19.142935 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.277 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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