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85068-38-8 molecular structure
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4-(1-aminopropyl)phenol

ChemBase ID: 308327
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
c1(ccc(cc1)O)C(N)CC
Canonical SMILES:
CCC(c1ccc(cc1)O)N
InChI:
InChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3
InChIKey:
WTQZYHPAVNTISM-UHFFFAOYSA-N

Cite this record

CBID:308327 http://www.chembase.cn/molecule-308327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-aminopropyl)phenol
IUPAC Traditional name
4-(1-aminopropyl)phenol
Synonyms
4-(1-aminopropyl)phenol
CAS Number
85068-38-8
MDL Number
MFCD09047748

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) -1.2667333  LogD (pH = 7.4) -0.45698026 
Log P 0.96907794  Molar Refractivity 45.4551 cm3
Polarizability 17.992126 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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