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91430-80-7 molecular structure
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dimethyl[3-(4-nitrophenoxy)propyl]amine

ChemBase ID: 800783
Molecular Formular: C11H16N2O3
Molecular Mass: 224.25634
Monoisotopic Mass: 224.11609238
SMILES and InChIs

SMILES:
C(CCOc1ccc(cc1)[N+](=O)[O-])N(C)C
Canonical SMILES:
CN(CCCOc1ccc(cc1)[N+](=O)[O-])C
InChI:
InChI=1S/C11H16N2O3/c1-12(2)8-3-9-16-11-6-4-10(5-7-11)13(14)15/h4-7H,3,8-9H2,1-2H3
InChIKey:
LZAUJKLXJFELOL-UHFFFAOYSA-N

Cite this record

CBID:800783 http://www.chembase.cn/molecule-800783.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[3-(4-nitrophenoxy)propyl]amine
IUPAC Traditional name
dimethyl[3-(4-nitrophenoxy)propyl]amine
Synonyms
N,N-dimethyl-3-(4-nitrophenoxy)propan-1-amine
CAS Number
91430-80-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16806 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16806 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) -1.4754353  LogD (pH = 7.4) -0.018809572 
Log P 1.834163  Molar Refractivity 61.7262 cm3
Polarizability 23.605959 Å3 Polar Surface Area 55.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
.97 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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