1,3-Propanediamine
1,3-ジアミノプロパン · 1，3ジアミノプロパン · 1,3-プロパンジアミン · トリメチレンジアミン · 1,3‐プロパンジアミン · 1,3-ジアミノプロパン, 98% · Propane-1,3-diamine · 1,3-PROPANEDIAMINE
識別子と物理属性
| CAS No. | 109-76-2 |
|---|---|
| 分子式 | C3H10N2 |
| 平均分子量 | 74.13 g/mol |
| 単同位体質量 | 74.08439832 g/mol |
| SMILES | NCCCN |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| PubChem CID | 428 |
| ChEMBL | CHEMBL174324 |
| ChEBI | CHEBI:15725 |
| EC No. | 203-702-7 |
| DTXSID | DTXSID1021906 |
| 現地名 | 1,3-ジアミノプロパン |
化学・物理的性質
| XLogP | -1.4 |
|---|---|
| 極性表面積 | 52 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 2 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 12.4 |
| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP（分配係数） | -1.43 |
| 密度 | 0.881 at 68 °F (NTP, 1992) - Less dense than waterwill float0.8881 @25 °C0.888 g/mL at 25 °C(lit.) |
| 溶解度 | Soluble (NTP, 1992)DMSO (Slightly), Methanol (Slightly)溶ける |
| 引火点 | 75 °F (NTP, 1992)120 °F |
| 沸点 | 275.9 °F at 738 mmHg (NTP, 1992)139.80 °C. @ 760.00 mm Hg140 °C(lit.) |
| 融点 | 10 °F (NTP, 1992)-12 °C |
| 蒸気密度 | 2.5 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 蒸気圧 | 11.5 [mmHg]<8 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)Colorless to yellow liquid with an amine odor[CHEMINFO (MSDS)] Colorless liquid with an odor of amines[CAMEO] |
| 屈折率 | n20/D 1.458(lit.) |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 10.94(at 10℃) |
| 外観・状態 | 液体 |
| 色 | クリア |
| pH | >12 (100g/l, H2O, 20℃) |
| 爆発限界 | 2.8-15.2%(V) |
| BRN | 605277 |
| 誘電率 | 9.6(Ambient) |
| 安定性 | 安定。吸湿性。可燃性 - 空気と爆発性混合物を容易に形成します。酸無水物、酸塩化物、酸、強力な酸化剤とは相容れない。 |
| InChI | 1S/C3H10N2/c4-2-1-3-5/h1-5H2 |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| SMILES | NCCCN |
| LogP（分配係数） | -1.05 at 25℃ |
| CAS データベース | 109-76-2(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,3-Propanediamine(109-76-2) |
| EPAの化学物質情報 | 1,3-Diaminopropane (109-76-2) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 1,3-Propanediamine1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/119781,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 輸送ラベル（DOT） | Corrosive Flammable Liquid |
| 火災危険 | This compound is a flammable liquid. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992) |
| 有害性の概要 | Corrosive to skin[Quick CPC] Highly irritating or corrosive to skin and eyes[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS] |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,3-DIAMINOPROPANE is heat sensitive. This compound may react with oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.6%)Flammable liquids - Category 2 |
| 消火 | This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Protective Action Criteria (PAC) | 0.93 [mg/m3]10 [mg/m3]62 [mg/m3] |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| 有害作用 | Dermatotoxin - Skin burns. |
| F | 34 |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TX6825000 |
| 輸送番号（UN） | UN 2922 8/PG 2 |
| 毒性 | LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg |
| 税関コード | 29212900 |
| 危険文句（R） | 10-22-24-35 |
| 化審法 | (2)-149 |
| 消防法 | 危-4-2-III |
| 危険表示 | T,C |
| 安全措置（S） | 26-36/37/39-45-25-16 |
| 危険等級 | 3Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B |
| 包装等級 | III |
| 自然発火温度 | 662 °F |
| 貯蔵分類 | 3 - Flammable liquids |
用途
解説
1,3-propanediamine．C3H10O2(74.13)．H2N(CH2)3NH2．臭化トリメチレンにアルコール性アンモニアを作用させると得られる．アンモニア臭をもつ液体．融点－22 ℃，沸点140 ℃．d420"0.888．nD20"1.459．K 3.5×10－4(25 ℃)．水，エタノール，ベンゼンに可溶．放置すると二酸化炭素を吸収する．ポリアミド，アニオン系洗剤のソフナー，木綿の加工用樹脂原料，架橋剤として用いられる．有毒で眼，粘膜，皮膚をおかす．LD50 350 mg/kg(ラット，経口)．[CAS 109-76-2]森北出版「化学辞典（第2版）
用途
エポキシ樹脂硬化剤
使用
1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
一般的な説明
Water-white mobile liquid with an odor of amine.
製法・合成法
調製方法
1,3-Diaminopropane is produced in a twostage continuous process, under a pressure of 10 – 20 MPa. In a first reactor, acrylonitrile reacts with excess ammonia at 70 – 100 ℃ to give 2-aminopropionitrile and bis(cyanoethyl) amine. The mixture of aminonitriles is then hydrogenated in a downstream reactor over a fixed-bed catalyst (cobalt or nickel) at 60 – 120 ℃ to give 1,3-diaminopropane and bis (aminopropyl)amine. The yield of 1,3- diaminopropane can be increased by adding a polar solvent and water or by using a large excess of ammonia.