[2-(5-methoxy-1H-indol-3-yl)ethyl]bis(propan-2-yl)amine hydrate hydrochloride

• ChemBase编号: 154076
• 分子式: C17H29ClN2O2
• 平均质量: 328.87736
• 单一同位素质量: 328.19175586
• SMILES: CC(C)N(CCc1c[nH]c2c1cc(cc2)OC)C(C)C.O.Cl
• Canonical SMILES: COc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c[nH]2.O.Cl
• InChI: InChI=1S/C17H26N2O.ClH.H2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17;;/h6-7,10-13,18H,8-9H2,1-5H3;1H;1H2
• InChIKey: DFERASOFTGVIPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(5-methoxy-1H-indol-3-yl)ethyl]bis(propan-2-yl)amine hydrate hydrochloride
• IUPAC传统名: 5-MeO-DIPT hydrate hydrochloride
• 别名: N,N-diisopropyl-5-methoxy-tryptamine 盐酸盐; 5-MEO-DIPT 盐酸盐; Methoxy Foxy; N,N-Diisopropyl-5-methoxytryptamine hydrochloride hydrate; 5-MEO-DIPT hydrochloride hydrate

登记号

• MDL号: MFCD12912426
• PubChem SID: 162248215
• PubChem CID: 71311787

理论计算性质

• Acid pKa: 17.440752
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.19873744
• LogD (pH = 7.4): 0.6141407
• Log P: 3.6911604
• 摩尔折射率: 85.2402 cm^3
• 极化性: 34.30691 Å^3
• 极化表面积: 28.26 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 毒品管制信息: USDEA Schedule I
• 保存温度: room temp

产品相关信息

• Empirical Formula (Hill Notation): C17H26N2O · xHCl · yH2O

详细说明

Sigma Aldrich - M3196

Biochem/physiol Actions
5-MeO-DIPT is a tryptamine derivative. In animal behavioral studies, 5-MeO-DIPT has been shown to produce behavioral effects that are substantially similar to those of LSD, both schedule I hallucinogens.