2,4,5-三甲基苯胺结构式
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常用名 | 2,4,5-三甲基苯胺 | 英文名 | pseudocumidine |
|---|---|---|---|---|
| CAS号 | 137-17-7 | 分子量 | 135.206 | |
| 密度 | 1.0±0.1 g/cm3 | 沸点 | 234.5±0.0 °C at 760 mmHg | |
| 分子式 | C9H13N | 熔点 | 62 °C | |
| MSDS | N/A | 闪点 | 102.9±14.0 °C | |
| 符号 |
GHS02, GHS07 |
信号词 | Danger |
| 中文名 | 2,4,5-三甲基苯胺 |
|---|---|
| 英文名 | 2,4,5-trimethylaniline |
| 中文别名 | 2,4,5-三甲苯胺 |
| 英文别名 | 更多 |
| 密度 | 1.0±0.1 g/cm3 |
|---|---|
| 沸点 | 234.5±0.0 °C at 760 mmHg |
| 熔点 | 62 °C |
| 分子式 | C9H13N |
| 分子量 | 135.206 |
| 闪点 | 102.9±14.0 °C |
| 精确质量 | 135.104797 |
| PSA | 26.02000 |
| LogP | 2.32 |
| InChIKey | BMIPMKQAAJKBKP-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(N)cc1C |
| 外观性状 | 无色至微红的黄色液体 |
| 蒸汽压 | 0.1±0.4 mmHg at 25°C |
| 折射率 | 1.553 |
| 储存条件 | 2-8°C |
| 稳定性 | Stable. Combustible. Incompatible with strong oxidizing agents. |
| 分子结构 | 1、 摩尔折射率:44.96 2、 摩尔体积(cm3/mol):140.5 3、 等张比容(90.2K):346.0 4、 表面张力(dyne/cm):36.7 5、 极化率(10-24cm3):17.82 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):2.3 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积26 7.重原子数量:10 8.表面电荷:0 9.复杂度:111 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1.熔点(℃):62 。 2.沸点(℃):232 。 3.密度(g/mL ):0.78 。 4.闪点(℃): -5。 |
| 符号 |
GHS02, GHS07 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H225-H302 + H312 + H332-H319 |
| 警示性声明 | P210-P280-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | F: Flammable;Xn: Harmful; |
| 风险声明 (欧洲) | R11;R20/21/22;R36 |
| 安全声明 (欧洲) | S16-S36/37-S61-S45-S53 |
| 危险品运输编码 | UN1648 3/PG 2 |
| RTECS号 | BZ0520000 |
| 海关编码 | 2921499090 |
| 2,4,5-三甲基苯胺上游产品 10 | |
|---|---|
| 2,4,5-三甲基苯胺下游产品 10 | |
| 海关编码 | 2921430090 |
|---|---|
| 中文概述 | 2921430090 甲苯胺及其衍生物以及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的 |
| Summary | HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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2,4,5- and 2,4,6-Trimethylaniline and their hydrochlorides.
IARC Monogr. Eval. Carcinog. Risk Chem. Hum. 27 , 177-88, (1982)
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
来源:824
External Id:CYP273
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
来源:824
靶标:N/A
External Id:P53600
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实验名称:p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
来源:824
靶标:N/A
External Id:P53MS958
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实验名称:p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
来源:824
External Id:P53MS482
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实验名称:p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
来源:824
靶标:tumor suppressor p53 [Homo sapiens]
External Id:P53MS233
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| 2,4,5-trimethyl-aniline |
| 5-amino-1,2,4-trimethyl-benzene |
| 2,4,5-Trimethylphenylamin (Pseudocumidin) |
| 2,4,5-trimethylphenylamine |
| Pseudokumidin [Czech] |
| pseudocumidine |
| 2,4,5-TRIMETHYLANILINE |
| 2,4,5-Trimethylbenzenamine |
| 2,3-DIHYDRO-4-TRIFLUOROACETYL-1H-XANTENE |
| Aniline,2,4,5-trimethyl |
| 2,4,5-Trimethyl-anilin |
| EINECS 205-282-0 |
| MFCD00025201 |
| 2,4,5-Trimethyl-aminobenzen |
| Benzenamine,2,4,5-trimethyl |