Pentamethyldiethylenetriamine

HCID 18196
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Basic information

CAS
3030-47-5
Standard SMILES
CN(C)CCN(C)CCN(C)C
InChIKey
UKODFQOELJFMII-UHFFFAOYSA-N
Molecular formula
C9H23N3
Average molar mass
173.3 g/mol
Monoisotopic mass
173.18919774

Overview

Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.

Names & identifiers

Preferred name
Pentamethyldiethylenetriamine
IUPAC
N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
English name
Pentamethyldiethylenetriamine
Molecular formula
C9H23N3
Molecular weight
173.3

Names & synonyms

3030-47-51,1,4,7,7-PentamethyldiethylenetriaminePentamethyldiethylenetriaminePMDETAPentamethyldiethylenetriaminekpmdienBis(2-dimethylaminoethyl)(methyl)amine2,5,8-Trimethyl-2,5,8-triazanonaneN,N',N''-PentamethyldiethylenetriamineN,N,N',N',N''-PentamethyldiethylenetriamineNSC 65659Diethylenetriamine, 1,1,4,7,7-pentamethyl-
Show more names
PMDTAN1-(2-(DiMethylaMino)ethyl)-N1,N2,N2-triMethylethane-1,2-diaMinePMDPTAFENTACAT 5entamethyldiethylenetriamine1,1,4,7,7-PentamethyldiethylentriaminN,N,N',N'',N''-Pentamethyldiethylenetriamine
DTXSID7029249EINECS 221-201-1BRN 17413963274UTY3HL1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-NSC-65659DTXCID109249N,N,N',N',N"-Pentamethyldiethylenetriamine

Database identifiers

CAS
3030-47-5
PubChem CID
18196
DTXSID
DTXSID7029249
ChEMBL
CHEMBL3183641
ChEBI
CHEBI:39475
UNII
3274UTY3HL
EC Number
221-201-1
Nikkaji
J53.928G

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
9.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Vapor Pressure0.3 [mmHg]
Physical Description · 2 items

Liquid

Colorless to pale yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
20 °C · −20 °C(lit.)
Boiling point
198 °C · 198 °C(lit.)
Density
0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
vapor pressure
0.23 mm · 0.23 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.442(lit.)
Flash point
128 °F · 128 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Chemical: 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-

1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/14451

1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

Reversible liver toxicity and developmental toxicity (considered secondary to maternal toxicity) observed in 2-generation oral study of rats (LOAEL's of 100 mg/kg/day for parental animals and 300 mg/kg/day for developmental effects); [EPA - TSCATS] Oral LD50 (rat) = 1,630 uL/kg; [RTECS] Causes burns; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]

Hazard Classes and Categories · 5 items

Acute Tox. 4 (98%)

Skin corrosion - category 1B

Flammable liquids - Category 3

Flammable liquids - Category 3

Acute Tox. 3 *

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Safety data

F
10-34
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
IE2100000
ridadr
UN 2734 8/PG 2

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to formulate adhesives-sealants, paints-coatings-thinners, polymers, and laboratory chemicals, to make fine and large scale chemicals, flexible and rigid foams, and rubber; [ECHA REACH Registrations]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCatalyst
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-: ACTIVE

Applications

UsesUsed as ligand in NMR study of complexation/aggregation with neopentyllithium1 and in the study of ligand effects on the selectivity of CO2 incorporation into α,ω-diynes

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.

Related reactions

154 records
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Compound notes

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