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102089-74-7 molecular structure
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tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

ChemBase ID: 796785
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@@H](CO)c1ccccc1
Canonical SMILES:
OC[C@@H](c1ccccc1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey:
IBDIOGYTZBKRGI-NSHDSACASA-N

Cite this record

CBID:796785 http://www.chembase.cn/molecule-796785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
IUPAC Traditional name
tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
Synonyms
(R)-tert-Butyl (2-hydroxy-1-phenylethyl)carbaMate
CAS Number
102089-74-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4314 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4314 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.968376  H Acceptors
H Donor LogD (pH = 5.5) 1.9607767 
LogD (pH = 7.4) 1.9607766  Log P 1.9607767 
Molar Refractivity 65.3669 cm3 Polarizability 25.738205 Å3
Polar Surface Area 58.56 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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