(propan-2-yl)({[(propan-2-yl)imino]methylidene})amine

• ChemBase编号: 78350
• 分子式: C7H14N2
• 平均质量: 126.19946
• 单一同位素质量: 126.11569846
• SMILES: N(=C=NC(C)C)C(C)C
• Canonical SMILES: CC(N=C=NC(C)C)C
• InChI: InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
• InChIKey: BDNKZNFMNDZQMI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (propan-2-yl)({[(propan-2-yl)imino]methylidene})amine
• IUPAC传统名: diisopropylcarbodiimide
• 别名: N,N'-二异丙基碳二酰亚胺; N,N′-二异丙基碳二亚胺; N,N′-二异丙基碳二亚胺浸渍片; ChemDose™，N,N′-二异丙基碳二亚胺片剂; DIC 浸渍片; N,N′-二异丙基碳二亚胺，ChemDose™ 片剂; N,N'-Diisopropylcarbodiimide; N,N′-Diisopropylcarbodiimide; N,N'-methanediylidenebis(propan-2-amine); 1,3-Di(prop-2-yl)carbodiimide; N,N'-Diisopropylcarbodiimide 99%; N,N′-Diisopropylcarbodiimide impregnated tablets; ChemDose™, N,N′-Diisopropylcarbodiimide tablets; DIC impregnated tablets; N,N′-Diisopropylcarbodiimide, ChemDose™ tablets; DIC; N,N'-DIISOPROPYLCARBODIIMIDE

登记号

• CAS号: 693-13-0
• EC号: 211-743-7
• MDL号: MFCD00065689
• Beilstein号: 878281
• PubChem SID: 162043119; 24893388; 24885843; 24863984
• PubChem CID: 12734
• Chemspider ID: 12211
• 维基百科标题: N,N'-Diisopropylcarbodiimide

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.7392178
• LogD (pH = 7.4): 1.740468
• Log P: 1.740484
• 摩尔折射率: 38.6268 cm^3
• 极化性: 14.769711 Å^3
• 极化表面积: 24.72 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

• 外观: Liquid
• 沸点: 145-148 °C; 145-148 °C(lit.); 145-148°C; 145-148°C
• 闪点: 31 °C; 31°C; 33.8°C; 33°C(91°F); 87.8 °F
• 密度: 0.806 g/ml; 0.806 g/mL; 0.810; 0.815; 0.815 g/mL at 20 °C; 0.815 g/mL at 20 °C(lit.)
• 折射率: 1.4330; n20/D 1.433(lit.)

安全信息

• 保存条件: 2-8°C, Desiccate
• 保存注意事项: Highly Toxic/Flammable/Irritant/Stench/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS编号: FF2175000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811; 2929; UN2929
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 1; II
• 澳大利亚Hazchem: 3WE
• 危险公开号: 10-26-36/37/38-41-42/43; 10-26-37/38-41-42/43; 37/38-41-42/43; R:10-22; R:10-25
• 安全公开号: 22-26-36/37/39-45; 26-36/37/39-45; 4-9-20-23-26-28-36/37/39-45; S:16-24-36/37/39-45-53; S:16-28-29-36/37/39-45
• 欧盟危险货物分类: TF1
• 欧盟危险识别号(EUHIN): 6.1A
• 美国ERG指导号: 131
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H315-H317-H318-H330-H334-H335; H315-H317-H318-H330-H334-H335; H330-H315-H317-H335-H334-H318-H226
• GHS警示性声明: P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A; P260-P280-P284-P305 + P351 + P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2811 6.1/PG 1; UN 2929 6.1/PG 1

药理学性质

• 相关基因信息: human ... EPHX2(2053)mouse ... Ephx2(13850)

产品相关信息

• 纯度: ≥98.0% (GC); 98%; 99%
• 级别: purum
• 基质: Magnesium aluminometasilicate base material
• 线性分子式: (CH3)2CHN=C=NCH(CH3)2

详细说明

MP Biomedicals - 05208044

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157755

1 ml = approx. 0.81 g
A substitute for dicyclohexylcarbodiimide in peptide synthesis.

Sigma Aldrich - D125407

Application
替代肽合成中的二环己基碳二亚胺。
肽合成的偶联剂。1,2,3
包装
1 kg in glass bottle
10 kg in poly drum
5, 25, 100, 500 g in glass bottle

Sigma Aldrich - 685666

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
的注册商标，受国际专利申请号 PCT/DK05/000428 和相关专利申请（包括欧洲专利申请号 05753717.7。
法律信息
ChemDose 商标 Reaxa Ltd.

Sigma Aldrich - 38370

Application
替代肽合成中的二环己基碳二亚胺。

参考文献

• Benoiton, N.L. and Chen, F.M.F., Chem. Commun. , 543 (1981).
• Reagent for peptide coupling: J. Org. Chem., 44, 5000 (1979). Has the advantage over N,N'-Dicyclohexylcarbodiimide, A10973 in solid phase peptide syntheses that the urea by-product is more soluble in organic solvents and hence more readily separated from the polymer support. For peptide reagents, see Appendix 6.