シクロペンチルアミン
シクロペンチルアミン · 1-アミノシクロペンタン · 1-シクロペンタンアミン · シクロペンタン-1-アミン · アミノシクロペンタン · シクロペンタンアミン · シクロペンチルアミン, 99% · Cyclopentanamine
識別子と物理属性
| CAS No. | 1003-03-8 |
|---|---|
| 分子式 | C5H11N |
| 平均分子量 | 85.15 g/mol |
| 単同位体質量 | 85.08914936 g/mol |
| SMILES | NC1CCCC1 |
| InChIKey | NISGSNTVMOOSJQ-UHFFFAOYSA-N |
| PubChem CID | 2906 |
| ChEMBL | CHEMBL1171859 |
| EC No. | 213-697-3 |
| DTXSID | DTXSID4061387 |
| 現地名 | シクロペンチルアミン |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 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 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 37 |
| 融点 | -85°C |
| 沸点 | 106-108 °C(lit.) |
| 密度 | 0.863 g/mL at 25 °C(lit.) |
| 蒸気圧 | 26.72hPa at 20℃ |
| 屈折率 | n20/D 1.450(lit.) |
| 引火点 | 63 °F |
| 貯蔵条件 | Flammables area |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | pK1:10.65(+1) (25°C) |
| 色 | クリア |
| 爆発限界 | 1.3-9.40%(V) |
| 溶解度 | 混和性 |
| 比熱容量 | Cp(liquid): 2.13 J/(g·K), at 25℃ |
| BRN | 635706 |
| InChI | 1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2 |
| InChIKey | NISGSNTVMOOSJQ-UHFFFAOYSA-N |
| SMILES | NC1CCCC1 |
| LogP（分配係数） | 0.83 at 20℃ |
| CAS データベース | 1003-03-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Cyclopentanamine(1003-03-8) |
| EPAの化学物質情報 | Cyclopentanamine (1003-03-8) |
化学的特性
a colorless liquid with an ammoniacal odor.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.6% (1 of 154) of reports.DangerH225 (99.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]H300 (97.4%): Fatal if swallowed [Danger Acute toxicity, oral]H314 (74.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (25.3%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (31.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (94.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (69.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (26.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H412 (68.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 154 reports by companies.There are 9 notifications provided by 153 of 154 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. |
|---|---|
| 規制情報 | Status: Active Update: 28-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7046Status: Active Update: 29-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10145Cyclopentylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (99.4%) |
用途
使用
Cyclopentylamine acts as an important raw material and intermediate used in organic synthesis and pharmaceuticals. Further, it serves as chemokine receptor 2 antagonists. It acts as a ligand in coordination chemistry and forms cis-dichlorobis(cyclopentylamine)platinum(II) complex.
製法・合成法
製造方法
Cyclopentylamine is produced from cyclopentanone and ammonia over nickel catalysts at 20 MPa and 150 – 200℃ in the presence of circulating hydrogen over a fixedbed catalyst.
純化方法
The amine may contain H2O or CO2 in the form of carbamate salt. Dry it over KOH pellets and then distil it from a few pellets of KOH. Store it in a dark, dry CO2-free atmosphere. It is characterised as the thiocyanate salt m 94.5o. The benzenesulfonyl derivative has m 68.5-69.5o. [Roberts & Chambers J Am Chem Soc 73 5030 1951, Bollinger et al. J Am Chem Soc 75 1729 1953, Beilstein 12 IV 4.]