테트라메틸-1,3-디아미노프로판
N,N,N',N'-테트라메틸트리메틸렌디아민 · 테트라메틸-1,3-디아미노프로판 · TMDAP · TMPDA · N1,N1,N3,N3-tetramethylpropane-1,3-diamine · Tetramethylpropylenediamine · N,N,N',N'-TETRAMETHYLPROPANE-1,3-DIAMINE · ATOFINA TMPDA
식별자 및 물리적 특성
| CAS No. | 110-95-2 |
|---|---|
| 분자식 | C7H18N2 |
| 평균 분자량 | 130.23 g/mol |
| 단동위원소 질량 | 130.14699858 g/mol |
| SMILES | CN(C)CCCN(C)C |
| InChIKey | DMQSHEKGGUOYJS-UHFFFAOYSA-N |
| PubChem CID | 8084 |
| ChEMBL | CHEMBL177250 |
| EC No. | 203-818-8 |
| DTXSID | DTXSID9047469 |
| 현지명 | 테트라메틸-1,3-디아미노프로판 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 6.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 51 |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| 녹는점 | 28.9°C (estimate) |
| 끓는 점 | 145-146 °C(lit.) |
| 밀도 | 0.779 g/mL at 25 °C(lit.) |
| 증기압 | 760 mm Hg ( 145 °C) |
| 굴절률 | n20/D 1.4234(lit.) |
| 인화점 | 89 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 9.88±0.28(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~연황색 |
| pH | 12.5 (100g/l, H2O, 20℃) |
| 폭발한계 | 2.9-22.5%(V) |
| BRN | 1734176 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 산, 산성 염화물, 과망간산염, 이산화탄소, 질산염, 과산화물, 아질산염, 할로겐과 호환되지 않습니다. |
| 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(분배 계수) | 0.36 |
| NIST | 1,3-Propanediamine, N,N,N',N'-tetramethyl-(110-95-2) |
| EPA | 1,3-Propanediamine, N,N,N',N'-tetramethyl- (110-95-2) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.6% (5 of 194) of reports.DangerH226 (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 exposureRespiratory 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. |
|---|---|
| 규제 정보 | Chemical: 1,3-Propanediamine, N,N,N',N'-tetramethyl-Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5408Status: Active Update: 08-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34000 |
용도
개요
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.
일반 설명
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.