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13531-52-7 molecular structure
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(2-aminoethyl)(3-aminopropyl)amine

ChemBase ID: 85840
Molecular Formular: C5H15N3
Molecular Mass: 117.1927
Monoisotopic Mass: 117.1265975
SMILES and InChIs

SMILES:
N(CCCN)CCN
Canonical SMILES:
NCCNCCCN
InChI:
InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
InChIKey:
DTSDBGVDESRKKD-UHFFFAOYSA-N

Cite this record

CBID:85840 http://www.chembase.cn/molecule-85840.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)(3-aminopropyl)amine
IUPAC Traditional name
(2-aminoethyl)(3-aminopropyl)amine
Synonyms
N-(2-Aminoethyl)-1,3-propanediamine
3-(2-Aminoethylamino)propylamine
N-(2-AMINOETHYL)TRIMETHYLENE DIAMINE
N~1~-(2-aminoethyl)propane-1,3-diamine
N-(2-Aminoethyl)-1,3-propanediamine
3-(2-氨基乙基氨基)丙基胺
N-(2-乙氨基)-1,3-丙二胺
CAS Number
13531-52-7
EC Number
236-882-0
MDL Number
MFCD00008211
PubChem SID
162072956
24847766
PubChem CID
26091

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -8.483777  LogD (pH = 7.4) -6.30768 
Log P -1.7268864  Molar Refractivity 35.4584 cm3
Polarizability 14.532438 Å3 Polar Surface Area 64.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
204.8 °F expand Show data source
96 °C expand Show data source
96°C(205°F) expand Show data source
Density
0.928 g/mL at 25 °C(lit.) expand Show data source
0.930 expand Show data source
Refractive Index
1.4820 expand Show data source
n20/D 1.4815(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
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
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
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 2 expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2N(CH2)3NHCH2CH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223298 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 127159 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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