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1125-90-2 molecular structure
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(E)-[(2-methoxyphenyl)methylidene](methyl)amine

ChemBase ID: 253620
Molecular Formular: C9H11NO
Molecular Mass: 149.18974
Monoisotopic Mass: 149.08406398
SMILES and InChIs

SMILES:
c1(c(OC)cccc1)/C=N/C
Canonical SMILES:
C/N=C/c1ccccc1OC
InChI:
InChI=1S/C9H11NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3-7H,1-2H3/b10-7+
InChIKey:
BKWMHLUBGZTQLW-JXMROGBWSA-N

Cite this record

CBID:253620 http://www.chembase.cn/molecule-253620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-[(2-methoxyphenyl)methylidene](methyl)amine
IUPAC Traditional name
(E)-[(2-methoxyphenyl)methylidene](methyl)amine
Synonyms
N-[(2-methoxyphenyl)methylene]-N-methylamine
CAS Number
1125-90-2
MDL Number
MFCD09373420
PubChem SID
164309530
PubChem CID
136904

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-27442 external link Add to cart Please log in.
Data Source Data ID
PubChem 136904 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.14434731  LogD (pH = 7.4) 1.5824752 
Log P 1.7644144  Molar Refractivity 46.059 cm3
Polarizability 17.252066 Å3 Polar Surface Area 21.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.985 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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