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81709-36-6 molecular structure
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2-(4-aminophenyl)-N,N-dimethylacetamide

ChemBase ID: 32204
Molecular Formular: C10H14N2O
Molecular Mass: 178.23096
Monoisotopic Mass: 178.11061308
SMILES and InChIs

SMILES:
C(=O)(N(C)C)Cc1ccc(N)cc1
Canonical SMILES:
CN(C(=O)Cc1ccc(cc1)N)C
InChI:
InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7,11H2,1-2H3
InChIKey:
HKWHCRLGBUCCTI-UHFFFAOYSA-N

Cite this record

CBID:32204 http://www.chembase.cn/molecule-32204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-aminophenyl)-N,N-dimethylacetamide
IUPAC Traditional name
2-(4-aminophenyl)-N,N-dimethylacetamide
Synonyms
2-(4-Aminophenyl)-N,N-dimethylacetamide
CAS Number
81709-36-6
MDL Number
MFCD09734229
PubChem SID
160995511
PubChem CID
12805227

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.39008695  LogD (pH = 7.4) 0.42205432 
Log P 0.42247766  Molar Refractivity 53.6816 cm3
Polarizability 20.038902 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
97 - 99°C expand Show data source
Hydrophobicity(logP)
-0.261 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
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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