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62345-76-0 molecular structure
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4-[2-(dimethylamino)ethoxy]aniline

ChemBase ID: 18358
Molecular Formular: C10H16N2O
Molecular Mass: 180.24684
Monoisotopic Mass: 180.12626314
SMILES and InChIs

SMILES:
c1(N)ccc(cc1)OCCN(C)C
Canonical SMILES:
CN(CCOc1ccc(cc1)N)C
InChI:
InChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKey:
CCCVQPGAXZNTIL-UHFFFAOYSA-N

Cite this record

CBID:18358 http://www.chembase.cn/molecule-18358.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(dimethylamino)ethoxy]aniline
IUPAC Traditional name
4-[2-(dimethylamino)ethoxy]aniline
Synonyms
4-(2-Dimethylamino-ethoxy)-phenylamine
N-[2-(4-aminophenoxy)ethyl]-N,N-dimethylamine
4-[2-(dimethylamino)ethoxy]aniline
4-[2-(Dimethylamino)ethoxy]aniline 97%
CAS Number
62345-76-0
MDL Number
MFCD07801177
PubChem SID
160981665
PubChem CID
6484655

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2458625  LogD (pH = 7.4) -0.46306092 
Log P 1.0052931  Molar Refractivity 55.2407 cm3
Polarizability 21.042309 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54.5-57.5°C expand Show data source
55 - 57°C expand Show data source
Hydrophobicity(logP)
1.103 expand Show data source
Storage Warning
Corrosive expand Show data source
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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