benzyldimethylamine

• ChemBase编号: 104938
• 分子式: C9H13N
• 平均质量: 135.20622
• 单一同位素质量: 135.10479942
• SMILES: CN(C)Cc1ccccc1
• Canonical SMILES: CN(Cc1ccccc1)C
• InChI: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChIKey: XXBDWLFCJWSEKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyldimethylamine
• IUPAC传统名: dimethylbenzylamine
• 别名: N-苄基二甲胺; N,N-二甲基苄胺; N-苄基二甲胺; N,N-Dimethylbenzenemethanamine; N-Benzyldimethylamine; Dimethylbenzylamine; Benzyl-N,N-dimethylamine; N-(Phenylmethyl)dimethylamine; BDMe; Sumine 2015, Benzenemethanamine; Dabco B-16, Araldite accelerator 062, N,N-Dimethyl(phenyl)methanamine; Dimethylbenzylamine; N,N-Dimethyl-1-phenylmethanamine; Benzyldimethylamine; N,N-DIMETHYLBENZYLAMINE; N-BENZYLDIMETHYLAMINE; BDMA; DMBA; N,N-Dimethylbenzylamine; N-Benzyldimethylamine; N,N-Dimethylbenzylamine; N-Benzyldimethylamine

登记号

• CAS号: 103-83-3
• EC号: 203-149-1
• MDL号: MFCD00008329
• Beilstein号: 1099620
• PubChem SID: 24851151; 162093101; 24848115
• PubChem CID: 7681
• CHEMBL: 45591
• Chemspider ID: 7398
• 维基百科标题: Dimethylbenzylamine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.2792611
• LogD (pH = 7.4): 0.3205597
• Log P: 1.9146426
• 摩尔折射率: 44.6007 cm^3
• 极化性: 17.444096 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1.2 g/L (27 °C) in water
• 外观: colourless to yellow liquid
• 熔点: -75 °C; -75 °C(lit.); -75°C; -75°C
• 沸点: 180 - 183 °C; 183-184 °C/765 mmHg(lit.); 183-184°C; 183-184°C
• 闪点: 127 °F; 127.4 °F; 53 °C; 54.4°C; 54°C(129°F); 55 °C
• 自燃点: 410 °C
• 密度: 0.9 g/mL at 25 °C(lit.); 0.90 g/ml; 0.900; 0.91 g/cm^3 at 20 °C
• 折射率: 1.5010; n20/D 1.50; n20/D 1.501(lit.); n20/D 1.502

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Air Sensitive
• RTECS编号: DP4500000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2619; UN2619
• 德国WGK号: 2
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3W
• 危险公开号: 10-20/21/22-34-52/53; R:10-20/21/22-34-52/53; R10, R20, R21, R22, R34, R52, R53
• 安全公开号: 1/2-26-36-45-61; 26-36-45-61; S:26-36-45-61; S26, S36, S45, S61
• 欧盟危险货物分类: CF1
• 欧盟危险识别号(EUHIN): 8A
• 美国ERG指导号: 132
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• NFPA704:
  

  3

  3

  0
• GHS危险声明: H226-H302-H312-H314-H332-H412; H314-H226-H302-H312-H332-H412
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P273-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 2619 8/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; ≥99.5% (GC); 98%; 98+%
• 级别: for protein sequence analysis; purum
• 线性分子式: C6H5CH2N(CH3)2

详细说明

MP Biomedicals - 02157804

1 ml = approx. 0.90 g

MP Biomedicals - 05215276

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 185582

包装
100, 500 mL in glass bottle

Sigma Aldrich - 136921

包装
1 L in glass bottle
500 mL in glass bottle