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26210-77-5 molecular structure
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2-methyl-2,3-dihydro-1-benzofuran-5-amine

ChemBase ID: 307618
Molecular Formular: C9H11NO
Molecular Mass: 149.18974
Monoisotopic Mass: 149.08406398
SMILES and InChIs

SMILES:
O1c2c(CC1C)cc(N)cc2
Canonical SMILES:
CC1Oc2c(C1)cc(cc2)N
InChI:
InChI=1S/C9H11NO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4,10H2,1H3
InChIKey:
LSYQSRCIPQPFMO-UHFFFAOYSA-N

Cite this record

CBID:307618 http://www.chembase.cn/molecule-307618.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2,3-dihydro-1-benzofuran-5-amine
IUPAC Traditional name
2-methyl-2,3-dihydro-1-benzofuran-5-amine
Synonyms
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amine
CAS Number
26210-77-5
MDL Number
MFCD08060053

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) 1.2754242  LogD (pH = 7.4) 1.4405364 
Log P 1.4431121  Molar Refractivity 44.95 cm3
Polarizability 16.859922 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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