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124499-22-5 molecular structure
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2-[4-(2-aminoethyl)phenyl]-N,N-dimethylacetamide

ChemBase ID: 812939
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
C(C(=O)N(C)C)c1ccc(cc1)CCN
Canonical SMILES:
NCCc1ccc(cc1)CC(=O)N(C)C
InChI:
InChI=1S/C12H18N2O/c1-14(2)12(15)9-11-5-3-10(4-6-11)7-8-13/h3-6H,7-9,13H2,1-2H3
InChIKey:
ZHIUNNNQUPYJKN-UHFFFAOYSA-N

Cite this record

CBID:812939 http://www.chembase.cn/molecule-812939.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-aminoethyl)phenyl]-N,N-dimethylacetamide
IUPAC Traditional name
2-[4-(2-aminoethyl)phenyl]-N,N-dimethylacetamide
Synonyms
2-[4-(2-AMINO-ETHYL)-PHENYL]-N,N-DIMETHYL-ACETAMIDE
CAS Number
124499-22-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33720 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33720 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3438983  LogD (pH = 7.4) -1.636752 
Log P 0.66583323  Molar Refractivity 62.2096 cm3
Polarizability 24.037485 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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