Home > Compound List > Compound details
13325-14-9 molecular structure
click picture or here to close

3-amino-3-methylbutan-2-ol

ChemBase ID: 244765
Molecular Formular: C5H13NO
Molecular Mass: 103.16282
Monoisotopic Mass: 103.09971404
SMILES and InChIs

SMILES:
C(C(O)C)(N)(C)C
Canonical SMILES:
CC(C(N)(C)C)O
InChI:
InChI=1S/C5H13NO/c1-4(7)5(2,3)6/h4,7H,6H2,1-3H3
InChIKey:
RICKMFQXMYMBNY-UHFFFAOYSA-N

Cite this record

CBID:244765 http://www.chembase.cn/molecule-244765.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-3-methylbutan-2-ol
IUPAC Traditional name
3-amino-3-methylbutan-2-ol
Synonyms
3-amino-3-methylbutan-2-ol
3-amino-3-methyl-2-butanol
CAS Number
13325-14-9
MDL Number
MFCD19203579
PubChem SID
164300675
PubChem CID
13319222

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13319222 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.659534  H Acceptors
H Donor LogD (pH = 5.5) -3.2230225 
LogD (pH = 7.4) -2.728778  Log P -0.20183416 
Molar Refractivity 29.6869 cm3 Polarizability 12.084012 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.278 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle