benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride

• ChemBase编号: 132222
• 分子式: C17H22ClN
• 平均质量: 275.81628
• 单一同位素质量: 275.14407739
• SMILES: C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
• Canonical SMILES: CN([C@H](Cc1ccccc1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
• InChIKey: ANFSNXAXVLRZCG-RSAXXLAASA-N

名称和登记号

名称

• IUPAC标准名: benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• IUPAC传统名: benzphetamine hydrochloride
• 别名: 苄非他明 盐酸盐; (αS)-N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride; (+)-N-Benzyl-N,α-dimethylphenethylamine Hydrochloride; (+)-Benzphetamine Hydrochloride; Benzphetamine Hydrochloride; Didrex; Inapetyl; NSC 10937; U-0441; d-Benzphetamine Hydrochloride; (S)-Benzphetamine Hydrochloride; N-Benzyl-N,α-dimethylphenethylamine hydrochloride; Benzphetamine hydrochloride

登记号

• CAS号: 5411-22-3
• EC号: 226-489-2
• MDL号: MFCD00058090
• PubChem SID: 162226499; 24892064
• PubChem CID: 11558159

理论计算性质

• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• 摩尔折射率: 78.3871 cm^3
• 极化性: 30.702745 Å^3
• 极化表面积: 3.24 Å^2

分子性质

安全信息

• RTECS编号: SG9625000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 63-23/24/25
• 安全公开号: 22-36/37/39-45
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331-H361
• GHS警示性声明: P261-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule III; Home Office Schedule 3; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

详细说明

Sigma Aldrich - B8263

Biochem/physiol Actions
Adrenergic receptor agonist; CNS stimulant.

Toronto Research Chemicals - B209875

The S-enantiomer of Benzphetamine (B209880). Controlled substance (stimulant). Anorexic.

参考文献

• Stewart, J.T., et al.: J. Pharma. Sci., 60, 461 (1971)