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27646-78-2 molecular structure
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2-(methylamino)propan-1-ol

ChemBase ID: 59167
Molecular Formular: C4H11NO
Molecular Mass: 89.13624
Monoisotopic Mass: 89.08406398
SMILES and InChIs

SMILES:
N(C(CO)C)C
Canonical SMILES:
CC(NC)CO
InChI:
InChI=1S/C4H11NO/c1-4(3-6)5-2/h4-6H,3H2,1-2H3
InChIKey:
PXWASTUQOKUFKY-UHFFFAOYSA-N

Cite this record

CBID:59167 http://www.chembase.cn/molecule-59167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylamino)propan-1-ol
IUPAC Traditional name
2-(methylamino)propan-1-ol
Synonyms
2-(methylamino)-1-propanol
2-(Methylamino)propan-1-ol
CAS Number
27646-78-2
MDL Number
MFCD10686605
PubChem SID
162063930
PubChem CID
12695785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12695785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.129978  H Acceptors
H Donor LogD (pH = 5.5) -3.6790586 
LogD (pH = 7.4) -2.892859  Log P -0.46640545 
Molar Refractivity 25.4045 cm3 Polarizability 10.242338 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.682 expand Show data source
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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