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60637-97-0 molecular structure
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2-cyclobutylethan-1-amine

ChemBase ID: 309107
Molecular Formular: C6H13N
Molecular Mass: 99.17412
Monoisotopic Mass: 99.10479942
SMILES and InChIs

SMILES:
NCCC1CCC1
Canonical SMILES:
NCCC1CCC1
InChI:
InChI=1S/C6H13N/c7-5-4-6-2-1-3-6/h6H,1-5,7H2
InChIKey:
MGAPESYORZVKQD-UHFFFAOYSA-N

Cite this record

CBID:309107 http://www.chembase.cn/molecule-309107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclobutylethan-1-amine
IUPAC Traditional name
2-cyclobutylethanamine
Synonyms
(2-cyclobutylethyl)amine
CAS Number
60637-97-0
MDL Number
MFCD09924416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4036646 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0575144  LogD (pH = 7.4) -1.6327643 
Log P 0.96630204  Molar Refractivity 31.1398 cm3
Polarizability 12.598926 Å3 Polar Surface Area 26.02 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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