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

名称と識別子

優先名称: N,N,N',N'-Tetramethyl-1,3-diaminopropane
IUPAC: N,N,N',N'-tetramethylpropane-1,3-diamine
現地名: N,N,N',N'-テトラメチル-1,3-ジアミノプロパン
英語名: Tetramethyl-1,3-diaminopropane
分子式: C7H18N2
分子量: 130.23

名称と別名

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

名称をさらに表示

N,N,N',N'-テトラメチル-1,3-ジアミノプロパンN,N,N',N'-テトラメチルプロパン-1,3-ジアミンN,N,N',N'-テトラメチルトリメチレンジアミンN,N,N',N'-テトラメチル-1,3-プロパンジアミン1,3-ビス(ジメチルアミノ)プロパントリメチレンビス(ジメチルアミン)N,N'-(トリメチレン)ビス(ジメチルアミン)ジメチル[3-(ジメチルアミノ)プロピル]アミンテトラメチルプロベンジアミンテトラメチル1，3ジアミノプロパンN,N,N′,N′-テトラメチル-1,3-プロパンジアミンテトラメチルー1,3-ジアミノプロパンN,N,N′,N′‐テトラメチル‐1,3‐プロパンジアミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
極性表面積: 6.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 51

実験および物理化学的性質

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: 28.9 °C · 28.9°C (estimate)
沸点: 145 · 145-146 °C(lit.)
比重(密度): 0.779 g/mL · 0.779 g/mL at 25 °C(lit.)
蒸気圧: 760 mm · 760 mm Hg ( 145 °C)
屈折率: 20 · n20/D 1.4234(lit.)
闪点: 89 °F · 89 °F
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 9.88 · 9.88±0.28(Predicted)
外見: 液体
色: 無色透明～薄黄色
PH: 12.5 · 12.5 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 2.9 · 2.9-22.5%(V)
BRN: 1734176 · 1734176
安定性: 安定。可燃性。強力な酸化剤、酸、酸塩化物、過マンガン酸塩、二酸化炭素、硝酸塩、過酸化物、亜硝酸塩、ハロゲンとは相容れない。
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 データベース: 110 · 110-95-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,3-Propanediamine, N,N,N',N'-tetramethyl-(110-95-2)
EPAの化学物質情報: 1 · 1,3-Propanediamine, N,N,N',N'-tetramethyl- (110-95-2)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

毒性情報

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

法規制情報

Regulatory Information · 2 件

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

安全データ

F: 10-34
wgk: 2
tsca: TSCA listed
rtecs: TX8400000
ridadr: UN 2734 8/PG 2
毒性: LD50 orally in Rabbit: 620 mg/kg LD50 dermal Rat 1180 mg/kg
hs_code: 2921 29 00
risk_code: 10-22-24-34
化審法: (2)-155, (2)-2378
消防法: 危-4-2-III
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39-45-24/25
hazard_class: 3
packing_group: III
自然発火温度: 180 °C DIN 51794
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

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

応用分野 · 2 件

説明Tetramethyl-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.

一般的な説明N,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.