cyclopropylmethanamine

• ChemBase编号: 34351
• 分子式: C4H9N
• 平均质量: 71.12096
• 单一同位素质量: 71.07349929
• SMILES: C1CC1CN
• Canonical SMILES: NCC1CC1
• InChI: InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
• InChIKey: IGSKHXTUVXSOMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclopropylmethanamine
• IUPAC传统名: cyclopropylmethanamine
• 别名: 环丙烷甲胺; 氨甲基环丙烷; 环丙基甲胺; 1-Cyclopropylmethanamine; Cyclopropanemethanamine; (Cyclopropylmethyl)amine; 1-Cyclopropylmethanamine; Aminomethylcyclopropane; C-Cyclopropylmethylamine; N-(Cyclopropylmethyl)amine; Cyclopropylmethylamine; Cyclopropylmethylamine; (Aminomethyl)cyclopropane 97%; (Aminomethyl)cyclopropane; Cyclopropanemethylamine; cyclopropylmethanamine

登记号

• CAS号: 2516-47-4
• EC号: 219-737-6
• MDL号: MFCD00037147
• Beilstein号: 773674
• PubChem SID: 24846187; 160997658
• PubChem CID: 75646

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.869171
• LogD (pH = 7.4): -2.4582562
• Log P: 0.1551184
• 摩尔折射率: 21.8608 cm^3
• 极化性: 8.905697 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 83-86 °C(lit.); 84-85 °C; 84-85°C; 85-86°C
• 闪点: 2 °C; 2°C; 2°C(36°F); 35.6 °F
• 密度: 0.82; 0.820; 0.83 g/mL at 20 °C(lit.)
• 折射率: 1.4330; 1.434; n20/D 1.433(lit.)
• 疏水性(logP): 0.309

安全信息

• 保存注意事项: Highly Flammable/Corrosive/Air Sensitive/Store under Argon; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2733; UN2733
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-34
• 安全公开号: 16-26-36/37/39-45
• TSCA收录: false; 是
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H225-H314; H225-H314-H318
• GHS警示性声明: P210-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

产品相关信息

• 纯度: ≥96.0% (GC); 95%; 95+%; 97%; 98%; 98+%
• 级别: purum
• Empirical Formula (Hill Notation): C4H9N

详细说明

Toronto Research Chemicals - C988695

A cyclic compound with structural analogy to glycine used in studies of potential inhibitors of glycine cleavage system of brain and liver mitochondria.

参考文献

• Benavides, J. et al.: Biochem. Pharmacol., 32, 287 (1983)