シクロペンチルアミン
Cyclopentylamine
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
1003-03-8- 標準SMILES
NC1CCCC1- InChIKey
NISGSNTVMOOSJQ-UHFFFAOYSA-N- 分子式
- C5H11N
- 平均分子量
- 85.15 g/mol
- 単同位体質量
- 85.08914936
名称と識別子
- 優先名称
- Cyclopentylamine
- IUPAC
- cyclopentanamine
- 現地名
- シクロペンチルアミン
- 英語名
- Cyclopentylamine
- 分子式
- C5H11N
- 分子量
- 85.15
名称と別名
CyclopentylamineCyclopentanamine1003-03-8Aminocyclopentane4259VRY3GNNSC-32389DTXSID4061387RefChem:581096DTXCID2032506213-697-3MFCD00001380Amino cyclopentane
名称をさらに表示
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%Cyclopentylamine,Aminocyclopentanecb1689Ring aMylaMineAKOS BBS-00003621cychlopentylamineAMINOCYCLAOPENTANE1-Cyclopentanamine
Cyclopentanamine; Aminocyclopentane; NSC 32389EINECS 213-697-3NSC 32389CB 1689BRN 0635706UNII-4259VRY3GNcylcopentylaminecyclopentyl amine
データベース識別子
- CAS
1003-03-8- PubChem CID
- 2906
- DTXSID
DTXSID4061387- ChEMBL
CHEMBL1171859- UNII
- 4259VRY3GN
- EC Number
- 213-697-3
- Nikkaji
- J13.547J
物性
構造計算による物性補完中
- XLogP
- 0.6
- 極性表面積
- 26 Ų
- 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
物理化学的性質
- 融点
- -85 °C · -85°C
- 沸点
- 106 · 106-108 °C(lit.)
- 比重(密度)
- 0.863 g/mL · 0.863 g/mL at 25 °C(lit.)
- 蒸気圧
- 26.72 hPa · 26.72hPa at 20℃
- 屈折率
- 20 · n20/D 1.450(lit.)
- 闪点
- 63 °F · 63 °F
- 貯蔵温度
- Flammables area
- 外見
- 液体
- 酸解離定数(Pka)
- 1 · pK1:10.65(+1) (25°C)
- 色
- クリア
- 爆発限界(explosive limit)
- 1.3 · 1.3-9.40%(V)
- 水溶解度
- 混和性
- 比熱容量
- 2.13 J/ · Cp(liquid): 2.13 J/(g·K), at 25℃
- BRN
- 635706 · 635706
- InChI
- 1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2
- InChIKey
- NISGSNTVMOOSJQ-UHFFFAOYSA-N
- SMILES
- NC1CCCC1
- LogP
- 0.83 at · 0.83 at 20℃
- CAS データベース
- 1003 · 1003-03-8(CAS DataBase Reference)
- NISTの化学物質情報
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 154) of reports.
Danger
H225 (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.
危険有害性情報
Regulatory Information
Status: Active Update: 28-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7046；Status: Active Update: 29-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10145
Cyclopentylamine: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
用途と製造
General Manufacturing InformationCyclopentanamine: ACTIVE
応用分野
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.
調製方法
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.]
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