Cyclopropylamine (HCID 69828)

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:581232DTXCID8047890212-142-2C3H7N

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-2551CydopropylamineCylopropylamineCyloprolylamineRing propylaMineAMINOTRIMETHYLENEAKOS BBS-00003593

MFCD00001301cyclopropyl amineEINECS 212-142-2Moxifloxacin Impurity 90NSC 56127UNII-8PR8XTH1X1cyclopropyaminecyclopropylamin

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 Å²
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: -50 °C · -50 °C
沸点: 49 · 49-50 °C (lit.)
比重(密度): 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
蒸気圧: 4.67 psi · 4.67 psi ( 20 °C)
屈折率: 20 · n20/D 1.420(lit.)
闪点: 14 °F · −14 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)
外見: 揮発性液体
酸解離定数(Pka): 1 · pK1:9.10(+1) (25°C)
色: 無色透明
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℃
BRN: 741858 · 741858
安定性: Volatile
InChI: 1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
InChIKey: HTJDQJBWANPRPF-UHFFFAOYSA-N
SMILES: NC1CC1
LogP: 0.07 · 0.070
CAS データベース: 765 · 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)

化学的性質

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.

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 4 件

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)

Status: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5343

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: 29213099
risk_code: 11-22-34-36/37
化審法: (3)-4396
消防法: 危-4-1-II
hazard_code: F,C,Xi
hazard_note: Extremely Flammable/Harmful/Corrosive/Lachrymatory
safety_code: 16-26-36/37/39-45-33-7/9
hazard_class: 3
packing_group: II
自然発火温度: 527 °F
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Cyclopropanamine: ACTIVE

応用分野 · 2 件

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 · 2 件

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

アセト酢酸エチル塩素酸次亜塩素酸ナトリウム 1,3-プロパンジオールナトリウムメトキシド γ-ブチロラクトン

下流製品

1-CYCLOPROPYLPIPERAZINE 4-CHLORO-3-((CYCLOPROPYLAMINO)METHYL)BENZALDEHYDE シプロフロキサシン塩酸塩シロマジン 3-BROMO-2-((CYCLOPROPYLAMINO)METHYL)BENZALDEHYDE 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylic acid ETHYL 3-(CYCLOPROPYLAMINO)ACRYLATE 1-(3-CHLORO-4-((CYCLOPROPYLAMINO)METHYL)PHENYL)ETHANONE 2-N-Cyclopropylamino-4,6-DichloroTriazine 1-シクロプロピル-6,7-ジフルオロ-1,4-ジヒドロ-4-オキソキノリン-3-カルボン酸ジシクラニル Enrofloxacin hydrochloride

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京科朗科技有限公司025-58748998 18951874644 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.

シクロプロピルアミン

基本情報

概要