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60792-79-2 molecular structure
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2-(2-aminoethoxy)ethan-1-amine dihydrochloride

ChemBase ID: 150696
Molecular Formular: C4H14Cl2N2O
Molecular Mass: 177.07276
Monoisotopic Mass: 176.04831844
SMILES and InChIs

SMILES:
C(COCCN)N.Cl.Cl
Canonical SMILES:
NCCOCCN.Cl.Cl
InChI:
InChI=1S/C4H12N2O.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
InChIKey:
KTCUXFVANABSPX-UHFFFAOYSA-N

Cite this record

CBID:150696 http://www.chembase.cn/molecule-150696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoethoxy)ethan-1-amine dihydrochloride
IUPAC Traditional name
2-(2-aminoethoxy)ethanamine dihydrochloride
Synonyms
2,2′-Oxybis(ethylamine) dihydrochloride
2-Aminoethyl ether dihydrochloride
2,2′-Oxydiethylamine dihydrochloride
2,2'-Oxybis(ethylamine) dihydrochloride
2,2′-氧代双(乙胺) 二盐酸盐
2-氨基乙基醚 二盐酸盐
2,2′-氧双(乙胺) 二盐酸盐
CAS Number
60792-79-2
EC Number
262-435-4
MDL Number
MFCD00012891
Beilstein Number
3672341
PubChem SID
24850551
162244857
PubChem CID
2829023

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2829023 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -7.435599  LogD (pH = 7.4) -5.48414 
Log P -1.4694182  Molar Refractivity 28.9121 cm3
Polarizability 11.8424015 Å3 Polar Surface Area 61.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
230-234 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
O(CH2CH2NH2)2 · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 176095 external link
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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