シクロプロピルアミン
シクロプロピルアミン · アミノシクロプロパン · シクロプロパンアミン · 1-シクロプロパンアミン · シクロプロピルアミン, 98+% · Cyclopropanamine · AMINOCYCLOPROPANE · AURORA KA-2551
識別子と物理属性
| CAS No. | 765-30-0 |
|---|---|
| 分子式 | C3H7N |
| 平均分子量 | 57.09 g/mol |
| 単同位体質量 | 57.05784922 g/mol |
| SMILES | NC1CC1 |
| InChIKey | HTJDQJBWANPRPF-UHFFFAOYSA-N |
| PubChem CID | 69828 |
| ChEBI | CHEBI:34660 |
| EC No. | 212-142-2 |
| DTXSID | DTXSID9061099 |
| 現地名 | シクロプロピルアミン |
化学・物理的性質
| XLogP | 0.1 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 0 |
| 重原子数 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 22.5 |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（分配係数） | 0.07 |
| Physical Description | Liquid |
| 融点 | -50 °C |
| 沸点 | 49-50 °C (lit.) |
| 密度 | 0.824 g/mL at 25 °C (lit.) |
| 蒸気圧 | 4.67 psi ( 20 °C) |
| 屈折率 | n20/D 1.420(lit.) |
| 引火点 | −14 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)水、エタノール、エーテル、クロロホルムと混和します。 |
| 外観・状態 | 揮発性液体 |
| pKa（酸解離定数） | pK1:9.10(+1) (25°C) |
| 色 | 無色透明 |
| 比重 | 0.824 |
| 比熱容量 | Cp(liquid): 2.58 J/(g·K), at 25℃ |
| BRN | 741858 |
| 安定性 | Volatile |
| InChI | 1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 |
| InChIKey | HTJDQJBWANPRPF-UHFFFAOYSA-N |
| SMILES | NC1CC1 |
| LogP（分配係数） | 0.070 |
| CAS データベース | 765-30-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Cyclopropylamine(765-30-0) |
| EPAの化学物質情報 | Cyclopropanamine (765-30-0) |
化学的特性
Cyclopropylamine is a colorless and transparent flammable liquid with volatility and ammonia odor. It is miscible with water, methanol, ethanol, benzene, toluene and other solvents.
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 203 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: CyclopropanamineCyclopropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanamine 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: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5343Cyclopropylamine: HSNO Approval: HSR004423 Approved with controls |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | GZ0685500 |
| 輸送番号（UN） | UN 2733 3/PG 2 |
| 毒性 | LD50 orally in Rabbit: 445 mg/kg |
| 税関コード | 29213099 |
| 危険文句（R） | 11-22-34-36/37 |
| 化審法 | (3)-4396 |
| 消防法 | 危-4-1-II |
| 危険表示 | F,C,Xi |
| hazard_note | Extremely Flammable/Harmful/Corrosive/Lachrymatory |
| 安全措置（S） | 16-26-36/37/39-45-33-7/9 |
| 危険等級 | 3Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B |
| 包装等級 | II |
| 自然発火温度 | 527 °F |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
有機合成試薬。
使用
Cyclopropylamine is used in the preparation of N-[4-(4-fluoro)phenyl-2-aminothiazol-5-yl]pyrimidin-2-yl-alkylamine derivatives. It is also used to prepare Pt(CPA)2(bismethylthiomethylenepropanedioate) and Pt(CPA)2(bisethylthiomethylenepropanedioate) complexes.
製法・合成法
製造方法
Cyclopropylamine is synthesized from 1,3-propanediol by bromination, cyanation, cyclization, amidation, and Hoffmann rearrangement. It is also synthesized with γ-butyrolactone and isopropanol by five steps of ring-opening esterification, cyclization, hydrolysis, acylation and Hofmann degradation.
純化方法
It has been isolated as the benzamide m 100.6-101.0o (from aqueous EtOH). It forms a picrate m 149o (from EtOH/pet ether) from which the free base can be recovered using a basic ion-exchange resin and can then be distilled through a Todd column (p 11) using an automatic still head which only collects products boiling below 51o/atm. Polymeric materials if present will boil above this temperature. The hydrochloride has m 85-86o [Roberts & Chambers J Am Chem Soc 73 5030 1951, Jones J Org Chem 9 484 1944, Emmons J Am Chem Soc 79 6522 1957]. [Beilstein 12 IV 3.]