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89985-53-5 molecular structure
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2-(1-aminoethyl)phenol

ChemBase ID: 308033
Molecular Formular: C8H11NO
Molecular Mass: 137.17904
Monoisotopic Mass: 137.08406398
SMILES and InChIs

SMILES:
c1(c(O)cccc1)C(N)C
Canonical SMILES:
CC(c1ccccc1O)N
InChI:
InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3
InChIKey:
ZWKWKJWRIYGQFD-UHFFFAOYSA-N

Cite this record

CBID:308033 http://www.chembase.cn/molecule-308033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-aminoethyl)phenol
IUPAC Traditional name
2-(1-aminoethyl)phenol
Synonyms
2-(1-aminoethyl)phenol
CAS Number
89985-53-5
MDL Number
MFCD09050109

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) -1.7374277  LogD (pH = 7.4) -0.61741465 
Log P 0.2175477  Molar Refractivity 40.9311 cm3
Polarizability 16.146685 Å3 Polar Surface Area 46.25 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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