InChIKey | GGTYBZJRPHEQDG-WCCKRBBISA-N |
Inchi | 1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1 |
SMILES | Cl[H].O([H])C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])N([H])[H])N([H])[H])=O |
BRN | 3625847 |
LogP | 1.33980 |
PSA | 89.34000 |
Merck | 14,6874 |
折射率 | 24 ° (C=4, 6mol/L HCl) |
水溶性 | Soluble in water (543 mg/ml at 20°C), and alcohol. |
沸点 | 308.7 °C |
熔点 | 245 °C (dec.) (lit.) |
闪点 | 140.5℃ |
FEMA | 4190 | L-ORNITHINE MONOCHLOROHYDRATE/ORNITHINE |
溶解度 | H2O: 100 mg/mL |
颜色与性状 | 白色结晶体或结晶粉末 |
PH值 | 5.0-6.0 (25℃, 1M in H2O) |
稳定性 | Stable. |
溶解性 | 易溶于水,不溶于甲醇、乙醇和醚。 |
敏感性 | 易吸潮 |
比旋光度 | 24 º (c=4, 6N HCl) |
光学活性 | [α]20/D +23.0±0.5°, c = 5% in 5 M HCl |
密度 | 1.57 |
精确分子量 | 168.06700 |
氢键供体数量 | 4 |
氢键受体数量 | 4 |
可旋转化学键数量 | 4 |
同位素质量 | 168.0665554 g/mol |
重原子数量 | 10 |
复杂度 | 95 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 1 |
不确定原子立构中心数量 | 0 |
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) | -3.8 |
表面电荷 | 1 |
拓扑分子极性表面积 | 89.3 |
分子量 | 168.62 |
RTECS号 | RM2985000 |
WGK Germany | 3 |
安全术语 | S24/25 |
安全说明 | S24/25 |
风险术语 | R36/37/38 |
危险品标志 |
Xi
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危险品运输编号 | NONH for all modes of transport |
危害声明 | H319 |
警示性声明 | P264; P280; P305+P351+P338; P337+P313 |
储存条件 | 4°C, protect from light |
危险类别码 | 36 |
信号词 | Warning |
TSCA | Yes |
FLUKA BRAND F CODES | 3-10 |
EINECS | 221-678-6 |
MDL | MFCD00064562 |
海关编码 | 2922499990 |
海关数据 |
中国海关编码:2922499990概述:2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 监管条件:
A.入境货物通关单 检验检疫类别:
P.进境动植物、动植物产品检疫 Summary:HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Reaxys RN | 4328590 |
Beilstein | 3625847 |