113-45-1 (哌甲酯,methylphenidate)

哌甲酯(113-45-1)名称与标识符

名称

中文别名:
哌甲酯;哌醋甲酯;利他林;2-甲基-5-苯基呋喃-3-羧酸;哌醋甲酯标准品;匹普鲁多;米拉脱灵;匹普鲁多 (利他林);
英文别名:
methylphenidate;methyl alpha-phenyl-2-piperidylacetate;alpha-Phenyl-2-piperidineacetic acid methyl ester;meridil;Methyl alpha-phenyl-2-piperdine acetate;Methyl phenidyl acetate;Phenidylate;Ritalin;methyl 2-phenyl-2-piperidin-2-ylacetate;METHYLPHENIDATE, USP;[3H]-Methylphenidate;Calocain;Concerta;Concerta(R);Daytrana;Metadata ER;Metadate(R);Methylin;Methylphenidan;Metilfenidato;Plimasine;OROS methylphenidate;Rubifen;C07196;DEXMETHYLPHENIDATE;4311;b Ciba;4311/b Ciba;Methylin (Salt/Mix);DB00422;NCGC00248587-01;DTXSID5023299;Methylphenidatum;CHEBI:6887;Methyl alpha-phenyl-alpha-2-piperidinylacetate;BCP18286;CHEMBL796;HSDB 3126;Methyl (2-phenyl-2-(2-piperidyl)acetate);Methyl .alpha.-phenyl-2-piperidine-acetate;EINECS 204-028-6;Ritaline (Salt/Mix);d-methylphenidate HCl;Metilfenidato [INN-Spanish];SBI-0206868.P001;Methyl .alpha.-phenyl-.alpha.-2-piperidinylacetate;Prc-063;N06BA04;Centedein;Q422112;Methyl phenidylacetate;.alpha.-Phenyl-2-piperidineacetic acid methyl ester;Metilfenidato [Italian];alpha-Phenyl-alpha-(2-piperidyl)acetic acid methyl ester;Methylfenidan;BDBM50062912;DTXCID003299;C 4311;rac-methyl (2R)-phenyl((2R)-piperidin-2-yl)acetate;Metilfenidato (INN-Spanish);Methyl 2-phenyl-2-(piperidin-2-yl)acetate;HY-B1091;Methyl .alpha.-phenyl-2-piperidineacetate;Methylphenidate Transdermal System;Methyl alpha-phenyl-alpha-(2-piperidyl)acetate;Ritalin (Salt/Mix);NCI-C56280;CS-4657;NS00010412;Methyl .alpha.-phenyl-.alpha.-(2-piperidyl)acetate;Threo-dl-methylphenidate;Centedein (Salt/Mix);2-Piperidineacetic acid, alpha-phenyl-, methyl ester;methyl alpha-piperid-2-ylphenylacetate;Methylphenidate [USAN:INN:BAN];GTPL7236;Daytrana (TN);Centedrin (Salt/Mix);113-45-1;D04999;Methylphenidate HCl;Methyl phenyl(2-piperidinyl)acetate #;Centedrine (Salt/Mix);Methylphenidate extended release;Methylphenidatum [INN-Latin];NCGC00248587-03;2-Piperidineacetic acid, ?-phenyl-, methyl ester;Methylphenidatum (INN-Latin);DEA No. 1724;L001307;AB01563134_01;methyl phenyl(piperidin-2-yl)acetate;BRD-A19585813-003-01-7;Methylphenidylacetate hydrochloride;Methyl phenidate;Cotempla XR-ODT;SCHEMBL37178;METHYLPHENIDATE (MART.);Methylphenidate (USAN/INN);phenyl-piperidin-2-yl-acetic acid methyl ester;Jornay PM (a.k.a. HLD200);CHEBI:84276;2-Piperidineacetic acid, .alpha.-phenyl-, methyl ester;METHYLPHENIDATE (II);

标识符

InChIKey:
DUGOZIWVEXMGBE-UHFFFAOYSA-N
Inchi:
1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
SMILES:
O(C)C(C(C1C=CC=CC=1)C1CCCCN1)=O

哌甲酯(113-45-1)物化性质

实验特性

  • LogP : 2.41410
  • PSA : 38.33000
  • 折射率 : 1.5110 (estimate)
  • 沸点 : 327 ºC
  • 熔点 : 74.5°C
  • 闪点 : 152 ºC
  • 密度 : 1.070

计算特性

  • 精确分子量 : 233.14200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 233.141578849g/mol
  • 重原子数量 : 17
  • 复杂度 : 249
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 38.3Ų

哌甲酯(113-45-1)国际标准相关数据

EINECS:
204-028-6

哌甲酯(113-45-1)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
浙江省义乌中龙化工有限公司 王长虎 3101931054 询单

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