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90796-54-6 molecular structure
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2,2-dimethyl-3-(morpholin-4-yl)propan-1-amine

ChemBase ID: 24580
Molecular Formular: C9H20N2O
Molecular Mass: 172.2679
Monoisotopic Mass: 172.15756327
SMILES and InChIs

SMILES:
N1(CC(CN)(C)C)CCOCC1
Canonical SMILES:
NCC(CN1CCOCC1)(C)C
InChI:
InChI=1S/C9H20N2O/c1-9(2,7-10)8-11-3-5-12-6-4-11/h3-8,10H2,1-2H3
InChIKey:
CQMVORYYVMMMSP-UHFFFAOYSA-N

Cite this record

CBID:24580 http://www.chembase.cn/molecule-24580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-3-(morpholin-4-yl)propan-1-amine
IUPAC Traditional name
2,2-dimethyl-3-(morpholin-4-yl)propan-1-amine
Synonyms
(2,2-dimethyl-3-morpholin-4-ylpropyl)amine
2,2-Dimethyl-3-morpholin-4-ylpropan-1-amine
CAS Number
90796-54-6
MDL Number
MFCD09971800
PubChem SID
160987887
PubChem CID
25219383

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25219383 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.2003684  LogD (pH = 7.4) -2.2889073 
Log P 0.20632009  Molar Refractivity 50.6371 cm3
Polarizability 20.324642 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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