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Chemical Product CAS:3030-47-5Pentamethyldiethylenetriamine

CAS:3030-47-5
Pentamethyldiethylenetriamine

  • CAS No:

    3030-47-5
  • Name:

    Pentamethyldiethylenetriamine
  • Molecular Formula:

    C9H23N3
  • Molecular Weight:

    173.29902
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Pentamethyldiethylenetriamine ( CASNO:3030-47-5 )

Identification and Related Records
Name:
Pentamethyldiethylenetriamine
CAS Registry number:
3030-47-5
Synonyms:
1,1,4,7,7-Pentamethyldiethylenetriamine-
Bis(2-dimethylaminoethyl)methylamine
N,N,N,N,-pentamethyldiethylenetriamine (Am-1) PMDETA
PMDETA
PMDTA
N,N,N',N'',N''-PENTAMETHYLDIETHYLENETRIAMINE
N,N,N',N',N''-PENTAMETHYLDIETHYLENETRIAMINE
n-[2-(dimethylamino)ethyl]-n,n',n'-trimethyl-1,2-ethanediamine
1,1,4,7,7-pentamethyl-diethylenetriamin
2,5,8-trimethyl-2,5,8-triazanonane
N,N,N',N',N"-Pentamethyldiethylenetriamine
EINECS(EC#):
221-201-1
Molecular Formula:
C9H23N3
Molecular Weight:
173.29902
Inchi:
InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKey:
UKODFQOELJFMII-UHFFFAOYSA-N
Canonical SMILES:
CN(C)CCN(C)CCN(C)C
Chemical and Physical Properties
Appearance:
clear to yellowish liquid
Density:
0.827
Melting Point:
-20℃
Boiling Point:
198℃
Refractive Index:
1.442
Flash Point:
69℃
Water:
miscible
Solubilities:
miscible
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
HS Code:
29212900
Storage temp:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
Computed Properties:
Molecular Weight:173.29902 [g/mol]
Molecular Formula:C9H23N3
XLogP3-AA:0.3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:173.189198
MonoIsotopic Mass:173.189198
Topological Polar Surface Area:9.7
Heavy Atom Count:12
Formal Charge:0
Complexity:89.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:3
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:36
Safety and Handling
Hazard Codes:
T:Toxic;
Risk Statements:
R22;R24;R34
Safety Statements:
S26;S36/37/39;S45
HazardClass:
8
Safety:
Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Safety Information of Pentamethyldiethylenetriamine (CAS NO.3030-47-5):
Hazard Codes  TToxic
Risk Statements  22-24-34 
R22:Harmful if swallowed. 
R24:Toxic in contact with skin. 
R34:Causes burns.
Safety Statements  26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR  UN 2734 8/PG 2
WGK Germany  2
RTECS  IE2100000
F  10-34
HazardClass  8
PackingGroup  II
HS Code  29212900
PackingGroup:
II
Sensitive:
Air Sensitive
Transport:
UN 2734
Specification:
 Pentamethyldiethylenetriamine , its CAS NO. is 3030-47-5, the synonyms are N-[2-(Dimethylamino)ethyl]-N,N',N'-trimethyl-1,2-ethanediamine ; Bis(2-dimethylaminoethyl)methylamine ; N,N,N',N',N''-Pentamethyldiethylenetriamine ; PMDTA . 
Report:
Reported in EPA TSCA Inventory.
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