シクロプロピルアミン
Cyclopropylamine
基本情報
- CAS
765-30-0- 標準SMILES
NC1CC1- InChIKey
HTJDQJBWANPRPF-UHFFFAOYSA-N- 分子式
- C3H7N
- 平均分子量
- 57.09 g/mol
- 単同位体質量
- 57.05784923
概要
Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
名称と識別子
- 優先名称
- Cyclopropylamine
- IUPAC
- cyclopropanamine
- 現地名
- シクロプロピルアミン
- 英語名
- Cyclopropylamine
- 分子式
- C3H7N
- 分子量
- 57.09
名称と別名
CyclopropylamineCyclopropanamine765-30-0Aminocyclopropane8PR8XTH1X1NSC-56127DTXSID9061099CHEBI:34660RefChem:581232DTXCID8047890212-142-2cyclopropyamine
名称をさらに表示
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+%AURORA KA-2551CydopropylamineCyloprolylamineRing propylaMineAMINOTRIMETHYLENEAKOS BBS-00003593
cyclopropylamincylopropylamineCycloproplyamineCyclopropaneamineCyclopropylarnineMoxifloxacin Impurity 90N-cyclopropylamineMFCD00001301
データベース識別子
- CAS
765-30-0- PubChem CID
- 69828
- DTXSID
DTXSID9061099- ChEBI
CHEBI:34660- UNII
- 8PR8XTH1X1
- EC Number
- 212-142-2
- Nikkaji
- J79.937H
物性
構造計算による物性
- XLogP
- 0.1
- 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
- 4
- 形式電荷
- 0
- 複雑度
- 22.5
実験および物理化学的性質
SpringerMaterials PropertiesCoriolis coupling
LogP0.07
Physical DescriptionLiquid
物理化学的性質
- 融点
- 35.4 °C · −35.4 °C (−31.7 °F; 237.8 K)
- 沸点
- 49 · 49–50 °C (120–122 °F; 322–323 K)
- 比重(密度)
- 0.82 · 0.82
- 蒸気圧
- 4.67 psi · 4.67 psi ( 20 °C)
- 屈折率
- 1.42 · 1.42
- 闪点
- 1 °C · 1 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)
- 酸解離定数(Pka)
- 1 · pK1:9.10(+1) (25°C)
- 外見
- liquid
- 色
- colorless
- 比重
- 0.824 · 0.824
- 水溶解度
- 水、エタノール、エーテル、クロロホルムと混和します。
- 比熱容量
- 2.58 J/ · Cp(liquid): 2.58 J/(g·K), at 25℃
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
Danger
H225 (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.
危険有害性情報
Regulatory Information
Chemical: Cyclopropanamine
Cyclopropanamine 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)
REACH registered substance: Cyclopropylamine (EC: 212-142-2)
Cyclopropylamine: HSNO Approval: HSR004423 Approved with controls
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GZ0685500
- ridadr
- UN 2733 3/PG 2
- 毒性
- LD50 orally in Rabbit: 445 mg/kg
- hs_code
- 2921300090
- risk_code
- 11-22-34-36/37
- 化審法
- (3)-4396
- 消防法
- 危-4-1-II
- hazard_code
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Cyclopropanamine: ACTIVE
応用分野
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.
調製方法
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.]
上流・下流製品情報
上流原料
関連反応
3,089 件
化合物ノート
読み込み中…