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68269-83-0 molecular structure
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3-amino-N,N-diethylbenzamide

ChemBase ID: 21945
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
C(=O)(c1cc(N)ccc1)N(CC)CC
Canonical SMILES:
CCN(C(=O)c1cccc(c1)N)CC
InChI:
InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-6-5-7-10(12)8-9/h5-8H,3-4,12H2,1-2H3
InChIKey:
PECCRTHITMTOJM-UHFFFAOYSA-N

Cite this record

CBID:21945 http://www.chembase.cn/molecule-21945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N,N-diethylbenzamide
IUPAC Traditional name
3-amino-N,N-diethylbenzamide
Synonyms
3-Amino-N,N-diethylbenzamide
CAS Number
68269-83-0
MDL Number
MFCD00025279
PubChem SID
160985252
PubChem CID
268126

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 268126 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1531132  LogD (pH = 7.4) 1.1558926 
Log P 1.1559283  Molar Refractivity 59.1274 cm3
Polarizability 21.663942 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
81 - 83°C expand Show data source
Hydrophobicity(logP)
0.948 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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