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356094-07-0 molecular structure
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(1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine

ChemBase ID: 310908
Molecular Formular: C14H23NO4
Molecular Mass: 269.33672
Monoisotopic Mass: 269.16270822
SMILES and InChIs

SMILES:
c1(c(c(CNC(COC)C)ccc1OC)OC)OC
Canonical SMILES:
COCC(NCc1ccc(c(c1OC)OC)OC)C
InChI:
InChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-7-12(17-3)14(19-5)13(11)18-4/h6-7,10,15H,8-9H2,1-5H3
InChIKey:
CTAIAXZIQQOWFD-UHFFFAOYSA-N

Cite this record

CBID:310908 http://www.chembase.cn/molecule-310908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
IUPAC Traditional name
(1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
Synonyms
(2-methoxy-1-methylethyl)(2,3,4-trimethoxybenzyl)amine
CAS Number
356094-07-0
MDL Number
MFCD01468868

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3096304  LogD (pH = 7.4) 0.38911393 
Log P 1.4281803  Molar Refractivity 74.1579 cm3
Polarizability 29.311213 Å3 Polar Surface Area 48.95 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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