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91215-97-3 molecular structure
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{2-[2-(dimethylamino)ethoxy]phenyl}methanamine

ChemBase ID: 92213
Molecular Formular: C11H18N2O
Molecular Mass: 194.27342
Monoisotopic Mass: 194.14191321
SMILES and InChIs

SMILES:
NCc1ccccc1OCCN(C)C
Canonical SMILES:
NCc1ccccc1OCCN(C)C
InChI:
InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12/h3-6H,7-9,12H2,1-2H3
InChIKey:
NOZRJUDRDVKQDW-UHFFFAOYSA-N

Cite this record

CBID:92213 http://www.chembase.cn/molecule-92213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[2-(dimethylamino)ethoxy]phenyl}methanamine
IUPAC Traditional name
{2-[2-(dimethylamino)ethoxy]phenyl}methanamine
Synonyms
2-[2-(dimethylamino)ethoxy]benzylamine
{2-[2-(dimethylamino)ethoxy]phenyl}methanamine
N-{2-[2-(Aminomethyl)phenoxy]ethyl}-N,N-dimethylamine
2-[2-(Dimethylamino)ethoxy]benzylamine
N,N-Dimethyl-2-[2-(aminomethyl)phenoxy]ethylamine
CAS Number
91215-97-3
MDL Number
MFCD08690290
PubChem SID
162078911
PubChem CID
235943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 235943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.9925365  LogD (pH = 7.4) -1.9643956 
Log P 0.9599875  Molar Refractivity 59.0137 cm3
Polarizability 23.280155 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
89-91°C/0.2mm expand Show data source
Hydrophobicity(logP)
1.112 expand Show data source
Storage Warning
Corrosive/Harmful/Air Sensitive/Store under Argon expand Show data source
Purity
90% expand Show data source
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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