(1S)-1-(naphthalen-1-yl)ethan-1-amine

• ChemBase编号: 83684
• 分子式: C12H13N
• 平均质量: 171.23832
• 单一同位素质量: 171.10479942
• SMILES: N[C@H](c1c2c(ccc1)cccc2)C
• Canonical SMILES: C[C@@H](c1cccc2c1cccc2)N
• InChI: InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
• InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N

名称和登记号

名称

• IUPAC标准名: (1S)-1-(naphthalen-1-yl)ethan-1-amine
• IUPAC传统名: (1S)-1-(naphthalen-1-yl)ethanamine
• 别名: (S)-(-)-α-甲基-1-萘甲胺; (S)-(-)-1-(1-萘基)乙胺; L-α-(α-NAPHTHYL)ETHYLAMINE; (S)-(-)-1-(1-Naphthyl)ethylamine; (1R)-(+)-1-(Naphth-1-yl)ethylamine; (S)-(-)-α-Methyl-1-naphthalenemethylamine; (S)-(-)-1-(1-Naphthyl)ethylamine

登记号

• CAS号: 3886-70-2; 10420-89-0
• MDL号: MFCD00064114; MFCD00064179
• Beilstein号: 2208024
• PubChem SID: 24886119; 24886118; 162070801; 24854246
• PubChem CID: 66325

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.5094891
• LogD (pH = 7.4): 0.12105254
• Log P: 2.505066
• 摩尔折射率: 55.4004 cm^3
• 极化性: 23.242867 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: brown
• 沸点: 152-153°C/11mm; 152-154°C; 153 °C/11 mmHg(lit.)
• 闪点: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• 密度: 1.060; 1.067 g/mL at 20 °C(lit.); 1.07
• 折射率: 1.6230; n20/D 1.623; n20/D 1.623(lit.); n20/D 1.624
• 比旋光度: [α]20/D -53±3°, c = 2% in ethanol; [α]20/D -55±2°, c = 2% in ethanol; [α]20/D -59°, c = 5 in methanol; -55 (c=2 in ethanol)

安全信息

• 保存注意事项: Air Sensitive; Toxic/Corrosive/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN2922
• 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): III
• 危险公开号: 21-25-34; 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-36/37/39-45; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H312-H314-H318; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.5% (GC); ≥99%; ≥99.0% (sum of enantiomers, GC); ≥99.5% (sum of enantiomers, GC); 98%; 99%; ChiPros 99+%, ee 99+%
• 级别: for chiral derivatization; produced by BASF; purum
• 光学纯度: ee: 98% (GLC); enantiomeric excess: ≥98.5%; enantiomeric ratio: ≥99.5:0.5 (GC); enantiomeric ratio: ≥99:1 (GC)
• 线性分子式: C10H7CH(CH3)NH2

详细说明

MP Biomedicals - 05221155

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 726486

包装
5, 25 g in glass bottle
法律信息
ChiPros is a registered trademark of BASF SE

Sigma Aldrich - 237450

Application
制备手性硫脲溶剂，以用于通过 1H NMR 进行 α-羟基和 α-氨基酸的对映识别。1
包装
1, 5 g in glass bottle