化工社化工社 化学情報印刷レポート · 研究参考用
1,2-ジアミノプロパン
1,2-ジアミノプロパン · 1,2-プロパンジアミン · 1,2-プロピレンジアミン · １，２ジアミノプロパン · プロピレンジアミン · 1,2‐プロパンジアミン · 1,2-ジアミノプロパン標準液 · 1,2-PROPANEDIAMINE
識別子と物理属性
| CAS No. | 78-90-0 |
|---|---|
| 分子式 | C3H10N2 |
| 平均分子量 | 74.13 g/mol |
| 単同位体質量 | 74.08439832 g/mol |
| SMILES | CC(N)CN |
| InChIKey | AOHJOMMDDJHIJH-UHFFFAOYSA-N |
| PubChem CID | 6567 |
| ChEMBL | CHEMBL1319459 |
| ChEBI | CHEBI:30630 |
| EC No. | 201-155-9 |
| DTXSID | DTXSID4021761 |
| 現地名 | 1,2-ジアミノプロパン |
化学・物理的性質
| XLogP | -1.2 |
|---|---|
| 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 | 1 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 20.9 |
| 物質分類 | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| LogP（分配係数） | -1.8 |
| 密度 | 0.8584 (NTP, 1992) - Less dense than waterwill floatRelative density (water = 1): 0.90.9 @25 °C0.87 g/mL at 25 °C(lit.) |
| 溶解度 | Very soluble (NTP, 1992)Solubility in water: miscibleH2O: 非常に溶けやすい溶ける |
| 引火点 | 92 °F (NFPA, 2010)33 °C c.c. |
| 沸点 | 248.9 °F at 760 mmHg (NTP, 1992)119 °C118.9 °C @760 [mm Hg]120-122 °C(lit.) |
| 融点 | -35 °F (NTP, 1992)-12 °C-37 °C |
| 蒸気密度 | 2.6 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 2.62.6 (vs air) |
| 蒸気圧 | 9.0 [mmHg]Vapor pressure, kPa at 20 °C: 1.214 mm Hg ( 20 °C) |
| Physical Description | 1,2-propylenediamine appears as a colorless liquid with an ammonia-like odor. Strongly irritates skin and tissue.Extremely hygroscopic liquid[Merck Index] Colorless liquid with an ammoniacal odor[CAMEO]SolidHYGROSCOPIC COLOURLESS LIQUID WITH PUNGENT ODOUR. |
| 自然発火温度 | 416 °C |
| 屈折率 | n20/D 1.446 |
| 貯蔵条件 | Flammables area |
| pKa（酸解離定数） | 9.82(at 25℃) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| pH | 12 (100g/l, H2O, 20℃) |
| 爆発限界 | 2.2-11.1%(V) |
| Merck | 14,7852 |
| BRN | 605274 |
| ヘンリー定数 | 1.4×103 mol/(m3Pa) at 25℃, Nguyen (2013) |
| 誘電率 | 10.2(Ambient) |
| 安定性 | 安定。可燃性。強酸化剤、酸、酸塩化物、酸無水物とは相容れない。 |
| InChI | 1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 |
| InChIKey | AOHJOMMDDJHIJH-UHFFFAOYSA-N |
| SMILES | CC(N)CN |
| LogP（分配係数） | -1.2 at 20℃ |
| 表面張力 | 33.8mN/m at 293.15K |
| CAS データベース | 78-90-0(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,2-Propanediamine(78-90-0) |
| EPAの化学物質情報 | 1,2-Diaminopropane (78-90-0) |
化学的特性
clear liquid
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): 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) |
|---|---|
| 規制情報 | Chemical: 1,2-PropanediamineStatus: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21631,2-Diaminopropane: 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.) |
| 輸送ラベル（DOT） | Corrosive Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· Flammable/combustible material.Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 33 °C explosive vapour/air mixtures may be formed. |
| 健康有害性 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:· May cause toxic effects if inhaled or ingested. |
| 有害性の概要 | Corrosive to skin[Quick CPC] High inhalation exposure can cause pulmonary edema[ICSC] Rapidly forms the hemihydrate on absorption of moisture[Merck Index] Classifications in the EU: Causes severe burnsHarmful by ingestion and skin contact[IUCLID] |
| 輸送番号・ガイド（DOT） | 2258 132 |
| 反応性グループ | Amines, Phosphines, and Pyridines |
用途
解説
CH3CH(NH2)CH2NH2．別名プロピレンジアミン．錯体の塩基性配位子としては，略記号pnが使われる．
用途
有機合成原料(イミダゾール化合物)。
用途
農薬合成の中間体 (ULLMANNS(E) (6TH, 2003))
説明
1,2-Diaminopropane is a colorless liquid that is very hygroscopic and miscible with water and most organic solvents. It forms azeotropes with butanol, 2-methylpropanol, and toluene and has a strong ammoniacal odor.
使用
1,2-Diaminopropane was used as model precursor in the electron induced deposition of amorphous carbon nitride films.
一般的な説明
A colorless liquid with an ammonia-like odor. Flash point 160°F. Density 0.87 g / cm3. Boiling point 243°F. Strongly irritates skin and tissue.
製法・合成法
純化方法
Purify the diamine by azeotropic distillation with toluene. Then distil it. Store it in a CO2 free atmosphere. [Horton et al. Anal Chem 27 269 1955, Beilstein 4 IV 1255.]