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356092-84-7 molecular structure
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(1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine

ChemBase ID: 311002
Molecular Formular: C12H19NO
Molecular Mass: 193.28536
Monoisotopic Mass: 193.14666423
SMILES and InChIs

SMILES:
N(Cc1cc(ccc1)C)C(COC)C
Canonical SMILES:
COCC(NCc1cccc(c1)C)C
InChI:
InChI=1S/C12H19NO/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3/h4-7,11,13H,8-9H2,1-3H3
InChIKey:
GKPUKIMRCPIANO-UHFFFAOYSA-N

Cite this record

CBID:311002 http://www.chembase.cn/molecule-311002.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine
IUPAC Traditional name
(1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine
Synonyms
(2-methoxy-1-methylethyl)(3-methylbenzyl)amine
CAS Number
356092-84-7
MDL Number
MFCD01469254

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7025911  LogD (pH = 7.4) 0.60488045 
Log P 2.4146156  Molar Refractivity 59.8095 cm3
Polarizability 23.542933 Å3 Polar Surface Area 21.26 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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