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4741-99-5 molecular structure
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(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine

ChemBase ID: 75140
Molecular Formular: C7H20N4
Molecular Mass: 160.2605
Monoisotopic Mass: 160.16879666
SMILES and InChIs

SMILES:
N(CCN)CCCNCCN
Canonical SMILES:
NCCNCCCNCCN
InChI:
InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2
InChIKey:
UWMHHZFHBCYGCV-UHFFFAOYSA-N

Cite this record

CBID:75140 http://www.chembase.cn/molecule-75140.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)({3-[(2-aminoethyl)amino]propyl})amine
IUPAC Traditional name
1,4,8,11-tetraazaundecane
Synonyms
N,N'-Bis(2-aminoethyl)propane-1,3-diamine
1,4,8,11-Tetraazaundecane
N,N′-Bis(2-aminoethyl)-1,3-propanediamine
N,N′-二(2-氨乙基)-1,3-丙二胺
CAS Number
4741-99-5
EC Number
225-254-1
MDL Number
MFCD00008174
Beilstein Number
1742732
PubChem SID
24848545
162040058
24860105
PubChem CID
78479

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78479 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -9.998628  LogD (pH = 7.4) -6.752603 
Log P -2.0912898  Molar Refractivity 48.1828 cm3
Polarizability 19.74587 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)
Boiling Point
142-145 °C/8 mmHg(lit.) expand Show data source
280°C expand Show data source
Flash Point
>100°C expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
0.96 expand Show data source
0.96 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.494 expand Show data source
n20/D 1.494(lit.) expand Show data source
Storage Warning
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 3 expand Show data source
Purity
≥97.0% (NT) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Linear Formula
H2NCH2CH2NH(CH2)3NHCH2CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 333131 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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