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130369-00-5 molecular structure
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(3-aminocyclobutyl)methanol

ChemBase ID: 63328
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
C(O)C1CC(C1)N
Canonical SMILES:
OCC1CC(C1)N
InChI:
InChI=1S/C5H11NO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3,6H2
InChIKey:
BMCBDSKJVXYMJF-UHFFFAOYSA-N

Cite this record

CBID:63328 http://www.chembase.cn/molecule-63328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-aminocyclobutyl)methanol
IUPAC Traditional name
(3-aminocyclobutyl)methanol
Synonyms
3-Amino-cyclobutanemethanol
CAS Number
130369-00-5
MDL Number
MFCD09908028
PubChem SID
162029067
PubChem CID
14781907

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068645 external link Add to cart Please log in.
Data Source Data ID
PubChem 14781907 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.466229  H Acceptors
H Donor LogD (pH = 5.5) -3.8029501 
LogD (pH = 7.4) -3.1969664  Log P -0.7870315 
Molar Refractivity 28.1313 cm3 Polarizability 11.356206 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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