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885271-80-7 molecular structure
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7-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine

ChemBase ID: 812989
Molecular Formular: C11H15NO2
Molecular Mass: 193.2423
Monoisotopic Mass: 193.11027873
SMILES and InChIs

SMILES:
N(C)C1COc2cc(ccc2C1)OC
Canonical SMILES:
CNC1COc2c(C1)ccc(c2)OC
InChI:
InChI=1S/C11H15NO2/c1-12-9-5-8-3-4-10(13-2)6-11(8)14-7-9/h3-4,6,9,12H,5,7H2,1-2H3
InChIKey:
CIBNHDQUUIGNAH-UHFFFAOYSA-N

Cite this record

CBID:812989 http://www.chembase.cn/molecule-812989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
IUPAC Traditional name
7-methoxy-N-methyl-3,4-dihydro-2H-1-benzopyran-3-amine
Synonyms
(7-METHOXY-CHROMAN-3-YL)-METHYLAMINE
CAS Number
885271-80-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33800 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33800 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7730358  LogD (pH = 7.4) -0.64406574 
Log P 1.3931555  Molar Refractivity 54.6886 cm3
Polarizability 21.60527 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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