CAS 110-95-2 N,N,N',N'-Tetramethyl-1,3-diaminopropane (HCID 8084)

Names & identifiers

Preferred name: N,N,N',N'-Tetramethyl-1,3-diaminopropane
IUPAC: N,N,N',N'-tetramethylpropane-1,3-diamine
English name: Tetramethyl-1,3-diaminopropane
Molecular formula: C7H18N2
Molecular weight: 130.23

Names & synonyms

110-95-2N,N,N',N'-Tetramethyl-1,3-propanediamine1,3-Bis(dimethylamino)propaneN,N,N',N'-Tetramethyl-1,3-diaminopropaneN,N,N',N'-Tetramethyltrimethylenediamine1,3-PROPANEDIAMINE, N,N,N',N'-TETRAMETHYL-TetramethyltrimethylenediamineBis((dimethylamino)methyl)methaneBis[(dimethylamino)methyl]methaneDTXSID9047469BRN 1734176EINECS 203-818-8

Show more names

TMPDAN1,N1,N3,N3-tetramethylpropane-1,3-diamineN,N,N',N'-TETRAMETHYLPROPANE-1,3-DIAMINETMDAPATOFINA TMPDAFentacat TMPDAFENTAMINE TMPDA(CH3)2N(CH2)3N(CH3)2N,N,N',N'-Tetramethyl-1

tetramethyl-1,3-propanediamine73B9I6HN5RtetramethylpropylenediamineDTXCID70274692,6-dimethyl-2,6-diazaheptaneEC 203-818-81,3-Propanediamine, N1,N1,N3,N3-tetramethyl-n,n,n',n'-tetramethylpropanediamine

Database identifiers

CAS: 110-95-2
PubChem CID: 8084
DTXSID: DTXSID9047469
ChEMBL: CHEMBL177250
UNII: 73B9I6HN5R
EC Number: 203-818-8
Nikkaji: J91.240I

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 51

Experimental & physicochemical properties

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 28.9 °C · 28.9°C (estimate)
Boiling point: 145 · 145-146 °C(lit.)
Density: 0.779 g/mL · 0.779 g/mL at 25 °C(lit.)
vapor pressure: 760 mm · 760 mm Hg ( 145 °C)
refractive index: 20 · n20/D 1.4234(lit.)
Flash point: 89 °F · 89 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 9.88 · 9.88±0.28(Predicted)
form: Liquid
color: Clear colorless to light yellow
PH: 12.5 · 12.5 (100g/l, H2O, 20℃)
explosive limit: 2.9 · 2.9-22.5%(V)
BRN: 1734176 · 1734176
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, acids, acid chlorides, permanganates, carbon dioxide, nitrates, peroxides, nitrites, halogens.
InChI: 1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
InChIKey: DMQSHEKGGUOYJS-UHFFFAOYSA-N
SMILES: CN(C)CCCN(C)C
LogP: 0.36 · 0.36
CAS DataBase Reference: 110 · 110-95-2(CAS DataBase Reference)
FDA UNII: 73 B9I6HN5R · 73B9I6HN5R
NIST Chemistry Reference: 1 · 1,3-Propanediamine, N,N,N',N'-tetramethyl-(110-95-2)
EPA Substance Registry System: 1 · 1,3-Propanediamine, N,N,N',N'-tetramethyl- (110-95-2)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 226 · H226-H302+H312-H314-H331-H335-H411
Precautionary statements: 210 · P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xi
Risk Statements: 10 · 10-22-24-34
Safety Statements: 16 · 16-26-36/37/39-45-24/25
RIDADR: 2734 · UN 2734 8/PG 2
WGK Germany: 2 · 2
RTECS: 8400000 · TX8400000
F: 10 · 10-34
Autoignition Temperature: 180 °C · 180 °C DIN 51794
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2921 · 2921 29 00
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 InhalationAcute · Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
Toxicity: 50 orally · LD50 orally in Rabbit: 620 mg/kg LD50 dermal Rat 1180 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.6% (5 of 194) of reports.

Danger

H226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (11.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (28.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (57.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (58.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (11.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (57.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (57.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (57.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 194 reports by companies.；There are 10 notifications provided by 189 of 194 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 1,3-Propanediamine, N,N,N',N'-tetramethyl-

Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5408；Status: Active Update: 08-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34000

Hazards SummaryOral LD50 (rat) = 410 uL/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and inhalation; Toxic by skin absorption; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (97.4%)；Acute Tox. 4 (97.4%)；Acute Tox. 2 (11.3%)；Acute Tox. 3 (28.9%)；Acute Tox. 4 (57.2%)；Skin Corr. 1B (97.4%)；Eye Dam. 1 (58.2%)；Acute Tox. 2 (11.3%)；Acute Tox. 3 (57.7%)；STOT SE 3 (57.7%)；Aquatic Chronic 2 (57.7%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity DataLCLo (rat) = 375 ppm/2hr

Regulatory information

Regulatory Information · 2 items

Chemical: 1,3-Propanediamine, N,N,N',N'-tetramethyl-

Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5408；Status: Active Update: 08-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34000

Safety data

F: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: TX8400000
ridadr: UN 2734 8/PG 2
hs_code: 2921 29 00
Toxicity: LD50 orally in Rabbit: 620 mg/kg LD50 dermal Rat 1180 mg/kg
risk_code: 10-22-24-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06,GHS09
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39-45-24/25
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H302+H312-H314-H331-H335-H411
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
Autoignition Temperature: 180 °C DIN 51794
Precautionary statements: P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesUsed to make fine and large scale chemicals, as a monomer in polymerization reactions, and laboratory reagent; [ExPub: ECHA REACH Registrations]

General Manufacturing Information1,3-Propanediamine, N1,N1,N3,N3-tetramethyl-: ACTIVE

Applications · 3 items

DescriptionTetramethyl-1,3-diaminopropane can be made by methylation of 1,3-diaminopropane with formaldehyde or from dimethylaminopropionitrile and dimethylamine and is an intermediate for corrosion inhibitors, textile auxiliaries, flotation agents, and emulgators. It is also employed as a catalyst for polyurethanes and as a hardener for epoxy resins.

UsesTetramethyl-1,3-diaminopropane is used as epoxy resin curing agent, catalyst for the production of polyurethane foam.

General DescriptionN,N,N′,N′-Tetramethyl-1,3-propanediamine is an acyclic tertiary amine. It shows the ability to absorb CO2 when dissolved in aqueous solution. N,N,N′,N′-Tetramethyl-1,3-propanediamine (TMPDA) may be used: As a catalyst for the Baylis-Hillman reaction of cycloalkenones. In the preparation of homodimeric asymmetric monomethine cyanine dyes during the bisquaternization process. As a ligand (L) for the preparation of dinuclear μ-carbonato-dicopper(II) species.