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551-35-9 molecular structure
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2-hydroxy-N-(propan-2-yl)benzamide

ChemBase ID: 111798
Molecular Formular: C10H13NO2
Molecular Mass: 179.21572
Monoisotopic Mass: 179.09462866
SMILES and InChIs

SMILES:
CC(C)NC(=O)c1ccccc1O
Canonical SMILES:
CC(NC(=O)c1ccccc1O)C
InChI:
InChI=1S/C10H13NO2/c1-7(2)11-10(13)8-5-3-4-6-9(8)12/h3-7,12H,1-2H3,(H,11,13)
InChIKey:
ZWIKMHMXRCCKQO-UHFFFAOYSA-N

Cite this record

CBID:111798 http://www.chembase.cn/molecule-111798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-N-(propan-2-yl)benzamide
IUPAC Traditional name
salicylamide, N-isopropyl-
Synonyms
N-ISOPROPYL SALICYLAMIDE
CAS Number
551-35-9
PubChem SID
162096717
PubChem CID
68371

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
MP Biomedicals
05221071 external link Add to cart Please log in.
Data Source Data ID
PubChem 68371 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  Acid pKa 8.191383 
H Acceptors H Donor
LogD (pH = 5.5) 2.166503  LogD (pH = 7.4) 2.1028013 
Log P 2.1673799  Molar Refractivity 51.1814 cm3
Polarizability 19.291246 Å3 Polar Surface Area 49.33 Å2
Rotatable Bonds

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221071 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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