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891638-31-6 molecular structure
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[1-(morpholin-4-yl)cycloheptyl]methanamine

ChemBase ID: 60202
Molecular Formular: C12H24N2O
Molecular Mass: 212.33176
Monoisotopic Mass: 212.1888634
SMILES and InChIs

SMILES:
N1(C2(CN)CCCCCC2)CCOCC1
Canonical SMILES:
NCC1(CCCCCC1)N1CCOCC1
InChI:
InChI=1S/C12H24N2O/c13-11-12(5-3-1-2-4-6-12)14-7-9-15-10-8-14/h1-11,13H2
InChIKey:
ZPRFTDXBLRVQJG-UHFFFAOYSA-N

Cite this record

CBID:60202 http://www.chembase.cn/molecule-60202.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(morpholin-4-yl)cycloheptyl]methanamine
IUPAC Traditional name
[1-(morpholin-4-yl)cycloheptyl]methanamine
Synonyms
1-(1-morpholin-4-ylcycloheptyl)methanamine
[(1-Morpholin-4-ylcycloheptyl)methyl]amine
CAS Number
891638-31-6
MDL Number
MFCD05201533
PubChem SID
162025943
PubChem CID
16774192

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16774192 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7308204  LogD (pH = 7.4) -0.7589172 
Log P 1.3422931  Molar Refractivity 62.5172 cm3
Polarizability 25.1236 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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