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121-05-1 molecular structure
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(2-aminoethyl)bis(propan-2-yl)amine

ChemBase ID: 74497
Molecular Formular: C8H20N2
Molecular Mass: 144.2578
Monoisotopic Mass: 144.16264865
SMILES and InChIs

SMILES:
N(CCN)(C(C)C)C(C)C
Canonical SMILES:
NCCN(C(C)C)C(C)C
InChI:
InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
InChIKey:
CURJNMSGPBXOGK-UHFFFAOYSA-N

Cite this record

CBID:74497 http://www.chembase.cn/molecule-74497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)bis(propan-2-yl)amine
IUPAC Traditional name
(2-aminoethyl)diisopropylamine
Synonyms
N,N-Bis(isopropyl)ethylenediamine
N,N-Bis(prop-2-yl)ethane-1,2-diamine
1-Amino-2-[bis(isopropyl)amino]ethane
N,N-Bis(isopropyl)ethane-1,2-diamine
2-DIISOPROPYLAMINOETHYLAMINE
2-(Diisopropylamino)ethylamine
N,N-Diisopropylethylenediamine
N1,N1-Diisopropylethane-1,2-diamine
N,N-Diisopropylethylenediamine
2-(Diisopropylamino)ethylamine
2-(二异丙氨基)乙胺
N,N-二异丙基乙二胺
CAS Number
121-05-1
EC Number
204-447-4
MDL Number
MFCD00015015
Beilstein Number
1734800
PubChem SID
162039416
24863945
PubChem CID
8459

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9245703  LogD (pH = 7.4) -1.8843056 
Log P 0.9399516  Molar Refractivity 46.2727 cm3
Polarizability 18.552586 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
170°C expand Show data source
170°C expand Show data source
Flash Point
129.2 °F expand Show data source
54 °C expand Show data source
54°C expand Show data source
54°C(129°F) expand Show data source
Density
0.828 expand Show data source
0.830 expand Show data source
0.830 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4420 expand Show data source
1.4430 expand Show data source
n20/D 1.443 expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Flammable/Air Sensitive/Moisture Sensitive/Hygroscopic/Store under Argon expand Show data source
RTECS
KV4200000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2734 expand Show data source
UN2733 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
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
10-34 expand Show data source
10-37/38 expand Show data source
Safety Statements
20-23-26-36/37/39-45-60 expand Show data source
23-28 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H335 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2734 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[(CH3)2CH]2NCH2CH2NH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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