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34901-14-9 molecular structure
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3-aminopropan-1-ol; ethane-1,2-diol

ChemBase ID: 148825
Molecular Formular: C5H15NO3
Molecular Mass: 137.1775
Monoisotopic Mass: 137.10519335
SMILES and InChIs

SMILES:
C(CN)CO.C(CO)O
Canonical SMILES:
NCCCO.OCCO
InChI:
InChI=1S/C3H9NO.C2H6O2/c4-2-1-3-5;3-1-2-4/h5H,1-4H2;3-4H,1-2H2
InChIKey:
ZEXFKFYUMFXUBE-UHFFFAOYSA-N

Cite this record

CBID:148825 http://www.chembase.cn/molecule-148825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminopropan-1-ol; ethane-1,2-diol
IUPAC Traditional name
ethylene glycol; propanolamine
Synonyms
O,O′-Bis(3-aminopropyl)polyethylene glycol
O,O′-Bis(3-aminopropyl)polyethylene glycol 1,500
Poly(ethylene glycol) bis(3-aminopropyl) terminated
O,O′-二(3-氨基丙基)聚乙二醇
双(3-氨基丙基)聚乙二醇
双(3-氨基丙基)封端的聚乙二醇
CAS Number
34901-14-9
MDL Number
MFCD00197739
PubChem SID
162242999
24848720
24868712
PubChem CID
16211282

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211282 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.934239  H Acceptors
H Donor LogD (pH = 5.5) -4.2677217 
LogD (pH = 7.4) -3.5967104  Log P -1.2556012 
Molar Refractivity 21.0765 cm3 Polarizability 8.402709 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
49 °C(lit.) expand Show data source
49-54 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Mol. Weight
Mn ~1,500 expand Show data source
Linear Formula
(C2H4O)nC6H16N2O expand Show data source
NH2(CH2)3(OCH2CH2)nO(CH2)3NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 452572 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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