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38260-01-4 molecular structure
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(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine dihydrochloride

ChemBase ID: 130563
Molecular Formular: C6H20Cl2N4
Molecular Mass: 219.1558
Monoisotopic Mass: 218.10650202
SMILES and InChIs

SMILES:
C(CNCCNCCN)N.Cl.Cl
Canonical SMILES:
NCCNCCNCCN.Cl.Cl
InChI:
InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
InChIKey:
WYHIICXRPHEJKI-UHFFFAOYSA-N

Cite this record

CBID:130563 http://www.chembase.cn/molecule-130563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine dihydrochloride
IUPAC Traditional name
trien dihydrochloride
Synonyms
Triethylenetetramine dihydrochloride
三亚乙基四胺 二盐酸盐
CAS Number
38260-01-4
EC Number
253-854-3
MDL Number
MFCD00012889
Beilstein Number
5961763
PubChem SID
24889372
162224841
24900254
PubChem CID
71433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71433 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -9.501732  LogD (pH = 7.4) -6.2998686 
Log P -2.1512494  Molar Refractivity 43.3174 cm3
Polarizability 17.900114 Å3 Polar Surface Area 76.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
120-123 °C expand Show data source
120-125 °C (dec.) expand Show data source
RTECS
KH8587085 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
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 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
Purity
≥98.0% (AT) expand Show data source
≥99.0% (AT) expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Quality
2×cryst. expand Show data source
Linear Formula
NH2CH2CH2(NHCH2CH2)2NH2 · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T5033 external link
包装
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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