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117049-14-6 molecular structure
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tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate

ChemBase ID: 797635
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
OCCN(c1ccccc1)C(=O)OC(C)(C)C
Canonical SMILES:
OCCN(c1ccccc1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(9-10-15)11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
InChIKey:
GYRDREFSISCMKG-UHFFFAOYSA-N

Cite this record

CBID:797635 http://www.chembase.cn/molecule-797635.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate
IUPAC Traditional name
tert-butyl N-(2-hydroxyethyl)-N-phenylcarbamate
Synonyms
Boc-L-phenylglycinol
CAS Number
117049-14-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9257 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9257 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.555436  H Acceptors
H Donor LogD (pH = 5.5) 2.058171 
LogD (pH = 7.4) 2.058171  Log P 2.058171 
Molar Refractivity 65.7584 cm3 Polarizability 25.727182 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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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