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207399-20-0 molecular structure
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{2-[(2-aminoethyl)amino]ethyl}(propan-2-yl)amine

ChemBase ID: 150600
Molecular Formular: C7H19N3
Molecular Mass: 145.24586
Monoisotopic Mass: 145.15789762
SMILES and InChIs

SMILES:
CC(C)NCCNCCN
Canonical SMILES:
NCCNCCNC(C)C
InChI:
InChI=1S/C7H19N3/c1-7(2)10-6-5-9-4-3-8/h7,9-10H,3-6,8H2,1-2H3
InChIKey:
BTQYXSSZVKPNLP-UHFFFAOYSA-N

Cite this record

CBID:150600 http://www.chembase.cn/molecule-150600.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[(2-aminoethyl)amino]ethyl}(propan-2-yl)amine
IUPAC Traditional name
{2-[(2-aminoethyl)amino]ethyl}(isopropyl)amine
Synonyms
N1-Isopropyldiethylenetriamine
N1-异丙基二乙烯三胺
CAS Number
207399-20-0
MDL Number
MFCD00192242
PubChem SID
24866428
162244761
PubChem CID
3449168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
422355 external link Add to cart Please log in.
Data Source Data ID
PubChem 3449168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.7772746  LogD (pH = 7.4) -4.7905045 
Log P -0.5808827  Molar Refractivity 44.535 cm3
Polarizability 18.22489 Å3 Polar Surface Area 50.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
222 °C(lit.) expand Show data source
Flash Point
24 °C expand Show data source
75.2 °F expand Show data source
Density
0.88 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.463(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2734 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-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 2734 8/PG 2 expand Show data source
Purity
75% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
(CH3)2CHNHCH2CH2NHCH2CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 422355 external link
Packaging
5 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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