N,N-ジメチル-1,3-プロパンジアミン
N,N-ジメチル-1,3-プロパンジアミン · N,N-ジメチル-1,3-ジアミノプロパン · N,N-ジメチルプロパン-1,3-ジアミン · 1-アミノ-3-ジメチルアミノプロパン · 3-(ジメチルアミノ)プロパン-1-アミン · N,N-ジメチルトリメチレンジアミン · 1-アミノ-3-(ジメチルアミノ)プロパン · 3-(ジメチルアミノ)-1-プロパンアミン
識別子と物理属性
| CAS No. | 109-55-7 |
|---|---|
| 分子式 | C5H14N2 |
| 平均分子量 | 102.18 g/mol |
| 単同位体質量 | 102.11569845 g/mol |
| SMILES | CN(C)CCCN |
| InChIKey | IUNMPGNGSSIWFP-UHFFFAOYSA-N |
| PubChem CID | 7993 |
| ChEMBL | CHEMBL1232234 |
| EC No. | 203-680-9 |
| DTXSID | DTXSID5025102 |
| 現地名 | N,N-ジメチル-1,3-プロパンジアミン |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 29.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 3 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 35.1 |
| 物質分類 | Nitrogen Compounds -> Amines, AliphaticFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | -0.352 |
| 臭い | Ammoniacal odorアンモニア臭 |
| 密度 | 0.81 (NTP, 1992) - Less dense than waterwill float0.8100 @ 30 °CRelative density (water = 1): 0.810.8100 @ 30°C0.812 g/mL at 25 °C(lit.) |
| Viscosity | 1.1 cP |
| Color/Form | Colorless liquid |
| 溶解度 | Soluble (NTP, 1992)Sol in water and org solventsSoluble in oxygenated solventsSolubility in water: miscible溶ける |
| 引火点 | 60 °F (NTP, 1992)[ICSC] 90 °F95 °F CC35 °C c.c. |
| 沸点 | 253 °F at 760 mmHg (NTP, 1992)123 °C135 °C123 °C @760 [mm Hg]133 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| 融点 | less than -94 °F (NTP, 1992)FP: -70 °C-60 °C |
| 蒸気密度 | 3.6 (vs air) |
| 蒸気圧 | 5 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.435(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 10.13±0.10(Predicted) |
| 色 | クリア |
| pH | 12.7 (100g/l, H2O, 20℃) |
| 爆発限界 | 2.3-12.35%(V) |
| 凝固点 | -70℃ |
| BRN | 605293 |
| InChI | 1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3 |
| InChIKey | IUNMPGNGSSIWFP-UHFFFAOYSA-N |
| SMILES | CN(C)CCCN |
| LogP（分配係数） | -0.352 at 25℃ |
| CAS データベース | 109-55-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,3-Propanediamine, N,N-dimethyl-(109-55-7) |
| EPAの化学物質情報 | 3-(Dimethylamino)propylamine (109-55-7) |
化学的特性
clear liquid. soluble in water and organic solvents.
安全性と法規制
| GHS 分類 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1360) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 1,3-Propanediamine, N,N-dimethyl-1,3-Propanediamine, N1,N1-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1-dimethyl- 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: 11-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/148233-Dimethylaminopropylamine: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - 1,3-Propanediamine, N,N-dimethyl-: Human health tier II assessment |
| 輸送ラベル（DOT） | Corrosive Flammable Liquid |
| 火災危険 | This compound is flammable. (NTP, 1992)Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 35 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | FLAMMABLE, MODERATE FIRE RISK.Very flammable when exposed to heat, flame, or oxidizers. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include strong local irritation of tissue, lacrimation. |
| 有害性の概要 | Occupational asthma reported in workers manufacturing skis[Malo] Allergic contact dermatitis has been reported in workers handling epoxy resins or using products containing cocamidopropyl betaine. DMAPA is a contaminant in such products and the responsible allergen. [Kanerva, p. 1785] A corrosive substance that can cause pulmonary edema |
用途
用途
中間物、洗剤等、殺虫剤殺菌剤等、その他有機化学製品、樹脂用添加剤、凝集剤
説明
Dimethylaminopropylamine is an aliphatic amine present in amphoteric surfactants such as liquid soaps and shampoos. It is present as an impurity responsible for allergy from cocamidopropylbetaine. It is structurally similar to diethylaminopropylamine. It is also used as a curing agent for epoxy res ins and as an organic intermediate in chemical syntheses (ion exchangers, additives for flocculants, cosmetics and fuel additives, dyes and pesticides).
使用
N,N-Dimethyl-1,3-propylenediamine is a useful catalyst for Knoevenagel condensation. It is also a useful hardening agent for expoxy resin.
一般的な説明
Dimethylaminopropylamine is a colorless liquid. (NTP, 1992)
製法・合成法
調製方法
3-Dimethylaminopropylamine is produced by addition of dimethylamine to acrylonitrile and subsequent hydrogenation in the presence of ammonia.