thiophen-2-ylmethanamine

• ChemBase编号: 91229
• 分子式: C5H7NS
• 平均质量: 113.18078
• 单一同位素质量: 113.02992023
• SMILES: s1c(ccc1)CN
• Canonical SMILES: NCc1cccs1
• InChI: InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
• InChIKey: FKKJJPMGAWGYPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: thiophen-2-ylmethanamine
• IUPAC传统名: thiophen-2-ylmethanamine
• 别名: 噻吩-2-甲胺; 2-(氨甲基)噻吩; 2-噻吩甲胺; Thiophene-2-methylamine; 2-(Aminomethyl)thiophene; 2-Thenylamine; 2-Thiophenemethylamine; 2-THENYL AMINE; 2-(Aminomethyl)thiophene; 2-Thiophenemethylamine

登记号

• CAS号: 27757-85-3
• EC号: 248-639-6
• MDL号: MFCD00005460
• Beilstein号: 106296
• PubChem SID: 24853197; 162077933
• PubChem CID: 34005

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8760145
• LogD (pH = 7.4): -0.5208163
• Log P: 1.0118957
• 摩尔折射率: 31.4213 cm^3
• 极化性: 12.341191 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

• 外观: liquid
• 沸点: 85-88°C/14mm; 95-99 °C/28 mmHg(lit.); 95-99°C/28mm
• 闪点: 165.2 °F; 73°C; 73°C(163°F); 74 °C
• 密度: 1.100; 1.103; 1.103 g/mL at 25 °C(lit.)
• 折射率: 1.5670; n20/D 1.5670(lit.)

安全信息

• 保存注意事项: Air Sensitive; Corrosive/Air Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3267; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-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 3267 8/PG 2

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C5H7NS

详细说明

MP Biomedicals - 05217777

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 220884

包装
5 g in glass bottle
Application
Reactant involved in synthesis of:
• Triazole-linked-thiopene conjugates for use as a biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein1
• Serotonin 5-HT1A receptor antagonists which have neuroprotective affects against ischemic cell damage2
• Imidazole- and piperonyl-containing thiadiazoles and pyrimidines for use as inducible oxide synthase dimerization inhibitors3
• Optoelectronic segmented polyurethanes4Reactant involved in:
• Studies of organocatalyzed asymmetric reductive amination of ketones5
• Metal-free aerobic oxidative coupling of amines to imines6