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937661-89-7 molecular structure
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3-(2-propoxyphenyl)propan-1-amine

ChemBase ID: 308807
Molecular Formular: C12H19NO
Molecular Mass: 193.28536
Monoisotopic Mass: 193.14666423
SMILES and InChIs

SMILES:
c1(c(CCCN)cccc1)OCCC
Canonical SMILES:
NCCCc1ccccc1OCCC
InChI:
InChI=1S/C12H19NO/c1-2-10-14-12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8H,2,5,7,9-10,13H2,1H3
InChIKey:
SHIZRBFISXMAIX-UHFFFAOYSA-N

Cite this record

CBID:308807 http://www.chembase.cn/molecule-308807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-propoxyphenyl)propan-1-amine
IUPAC Traditional name
3-(2-propoxyphenyl)propan-1-amine
Synonyms
3-(2-propoxyphenyl)-1-propanamine
CAS Number
937661-89-7
MDL Number
MFCD09034633

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.46608487  LogD (pH = 7.4) 0.05640432 
Log P 2.553903  Molar Refractivity 59.6232 cm3
Polarizability 23.530148 Å3 Polar Surface Area 35.25 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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