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24417-04-7 molecular structure
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2-(ethylamino)propan-1-ol

ChemBase ID: 33354
Molecular Formular: C5H13NO
Molecular Mass: 103.16282
Monoisotopic Mass: 103.09971404
SMILES and InChIs

SMILES:
N(C(CO)C)CC
Canonical SMILES:
CCNC(CO)C
InChI:
InChI=1S/C5H13NO/c1-3-6-5(2)4-7/h5-7H,3-4H2,1-2H3
InChIKey:
SGBGCXQCQVUHNE-UHFFFAOYSA-N

Cite this record

CBID:33354 http://www.chembase.cn/molecule-33354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylamino)propan-1-ol
IUPAC Traditional name
2-(ethylamino)propan-1-ol
Synonyms
2-(Ethylamino)propan-1-ol
2-(ethylamino)-1-propanol
CAS Number
24417-04-7
MDL Number
MFCD11053920
PubChem SID
160996661
PubChem CID
14302278

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14302278 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.129475  H Acceptors
H Donor LogD (pH = 5.5) -3.326933 
LogD (pH = 7.4) -2.6008246  Log P -0.109597504 
Molar Refractivity 30.1531 cm3 Polarizability 12.084012 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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