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1177309-65-7 molecular structure
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[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine

ChemBase ID: 306950
Molecular Formular: C11H15N3O
Molecular Mass: 205.2563
Monoisotopic Mass: 205.12151212
SMILES and InChIs

SMILES:
n1c([nH]c2c1cc(cc2)OC)CCNC
Canonical SMILES:
CNCCc1nc2c([nH]1)ccc(c2)OC
InChI:
InChI=1S/C11H15N3O/c1-12-6-5-11-13-9-4-3-8(15-2)7-10(9)14-11/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKey:
DMNYXWBUIOGBTG-UHFFFAOYSA-N

Cite this record

CBID:306950 http://www.chembase.cn/molecule-306950.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
IUPAC Traditional name
[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl](methyl)amine
Synonyms
2-(5-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine
CAS Number
1177309-65-7
MDL Number
MFCD18073146

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8255417  LogD (pH = 7.4) -1.3123595 
Log P 0.97036076  Molar Refractivity 58.7061 cm3
Polarizability 24.148212 Å3 Polar Surface Area 49.94 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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