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35891-75-9 molecular structure
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2-(ethylamino)-N-(2-methylphenyl)propanamide

ChemBase ID: 168412
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
c1ccc(c(c1)NC(=O)C(NCC)C)C
Canonical SMILES:
CCNC(C(=O)Nc1ccccc1C)C
InChI:
InChI=1S/C12H18N2O/c1-4-13-10(3)12(15)14-11-8-6-5-7-9(11)2/h5-8,10,13H,4H2,1-3H3,(H,14,15)
InChIKey:
NAXASDSUCOOCOT-UHFFFAOYSA-N

Cite this record

CBID:168412 http://www.chembase.cn/molecule-168412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylamino)-N-(2-methylphenyl)propanamide
IUPAC Traditional name
2-ethylamino-2,6-acetoxylidine
Synonyms
2-(Ethylamino)-o-propionotoluidide Hydrochloride
2-(Ethylamino)-N-(2-methylphenyl)propanamide Hydrochloride
CAS Number
35891-75-9
PubChem SID
162262544
PubChem CID
71316539

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E899175 external link Add to cart
PubChem 71316539 external link
Data Source Data ID Price
TRC
E899175 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316539 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.508993  H Acceptors
H Donor LogD (pH = 5.5) -0.74568003 
LogD (pH = 7.4) 0.8697618  Log P 2.1584003 
Molar Refractivity 63.339 cm3 Polarizability 24.03002 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

TRC TRC
Toronto Research Chemicals - E899175 external link
A substituted toluidide for use as local anaesthetics.

REFERENCES

REFERENCES

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  • • Nussbaum, M., et al.: J. Pharm. Biomed. Anal., 27, 983 (2002)
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PATENTS

PATENTS

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INTERNET

INTERNET

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