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4605-14-5 molecular structure
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(3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine

ChemBase ID: 145400
Molecular Formular: C9H24N4
Molecular Mass: 188.31366
Monoisotopic Mass: 188.20009679
SMILES and InChIs

SMILES:
C(CN)CNCCCNCCCN
Canonical SMILES:
NCCCNCCCNCCCN
InChI:
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey:
ZAXCZCOUDLENMH-UHFFFAOYSA-N

Cite this record

CBID:145400 http://www.chembase.cn/molecule-145400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine
IUPAC Traditional name
norspermine
Synonyms
N,N′-Bis(3-aminopropyl)-1,3-propanediamine
N,N'-Bis(3-aminopropyl)-1,3-propanediamine
N,N′-双(3-氨丙基)-1,3-丙二胺
N,N'-二(3-氨丙基)-1,3-丙二胺
CAS Number
4605-14-5
EC Number
225-007-8
MDL Number
MFCD00008213
PubChem SID
24865272
162239606
PubChem CID
78350

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78350 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -12.546969  LogD (pH = 7.4) -8.919332 
Log P -1.9713703  Molar Refractivity 57.9136 cm3
Polarizability 23.437965 Å3 Polar Surface Area 76.1 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
101-103°C/1mm expand Show data source
98-103 °C/1 mmHg(lit.) expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.92 expand Show data source
0.92 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4910 expand Show data source
n20/D 1.491(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
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-27-28-36/37/39-45 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
90% expand Show data source
97% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
H2N(CH2)3NH(CH2)3NH(CH2)3NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 404810 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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