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65626-24-6 molecular structure
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(4-methyloxan-4-yl)methanamine

ChemBase ID: 245565
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
C1(CN)(CCOCC1)C
Canonical SMILES:
NCC1(C)CCOCC1
InChI:
InChI=1S/C7H15NO/c1-7(6-8)2-4-9-5-3-7/h2-6,8H2,1H3
InChIKey:
ORECGNYKJRNVMQ-UHFFFAOYSA-N

Cite this record

CBID:245565 http://www.chembase.cn/molecule-245565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methyloxan-4-yl)methanamine
IUPAC Traditional name
(4-methyloxan-4-yl)methanamine
Synonyms
1-(4-methyltetrahydro-2H-pyran-4-yl)methanamine
(4-methyloxan-4-yl)methanamine
CAS Number
65626-24-6
MDL Number
MFCD13184219
PubChem SID
164301475
PubChem CID
54165201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54165201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8408594  LogD (pH = 7.4) -2.2215364 
Log P 0.17432883  Molar Refractivity 37.6104 cm3
Polarizability 15.112169 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.106 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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