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740758-27-4 molecular structure
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4-methylazepan-4-ol

ChemBase ID: 309177
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
N1CCC(O)(C)CCC1
Canonical SMILES:
CC1(O)CCNCCC1
InChI:
InChI=1S/C7H15NO/c1-7(9)3-2-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKey:
NUSFCKJOSCESDP-UHFFFAOYSA-N

Cite this record

CBID:309177 http://www.chembase.cn/molecule-309177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylazepan-4-ol
IUPAC Traditional name
4-methylazepan-4-ol
Synonyms
4-methyl-4-azepanol
CAS Number
740758-27-4
MDL Number
MFCD17015898

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4037757 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3010695  LogD (pH = 7.4) -2.6831148 
Log P -0.07687954  Molar Refractivity 37.7005 cm3
Polarizability 15.038956 Å3 Polar Surface Area 32.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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