CAS号:544-76-3-正十六烷 - Hexadecane-科华智慧

1. 主信息

英文名:	Hexadecane
中文名:	正十六烷
CAS编号:	544-76-3
化学分子式：	C₁₆H₃₄
化学分子量：	226.44 g/mol
SMILES：	CCCCCCCCCCCCCCCC
来源：	合成化合物
结构类型：	-
其它名称或标识：	hexadecane n-hexadecane

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1ml	GC≥98%	160	2-8℃	现货	-
科华智慧	2ml	1000μg/ml in methanol	72	2-8℃	现货	-
科华智慧	2ml	100μg/ml in isooctane	56	2-8℃	现货	-
科华智慧	2ml	1000μg/ml in isooctane	72	2-8℃	现货	-
科华智慧	2ml	10μg/ml in isooctane	48	2-8℃	现货	-
科华智慧	10ml	1000μg/ml in tetrachloroethylene	208	2-8℃	现货	-
科华智慧	25ml	AR,98%	40	2-8℃	现货	-
科华智慧	100ml	AR,98%	120	2-8℃	现货	-
科华智慧	500ml	AR,98%	296	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 50 49 0 0 0 0 0 0 0999 V2000 0.6381 0.4162 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 -0.4183 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.4328 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 0.4303 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 0.4472 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 -0.4052 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -0.3484 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4792 0.4417 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 0.4821 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7281 -0.4436 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -0.3705 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 0.3498 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 0.4615 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2836 -0.5314 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5780 -0.3813 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5555 0.3030 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 1.0759 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 1.0650 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.0371 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -1.1067 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -1.1189 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9564 -1.0467 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 1.0746 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9478 1.0940 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 1.0488 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 1.1517 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 -1.0558 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 -1.0631 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4993 -0.9674 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 -1.0443 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 1.0923 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5094 1.0917 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 1.1293 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 1.1429 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7192 -1.1138 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6955 -1.0816 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0102 -0.9959 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0334 -1.0528 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0279 1.0546 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 0.9517 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3104 1.1170 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3334 1.1124 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2479 -1.1198 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3055 -1.2399 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6332 -1.0271 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6081 -1.0149 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4633 0.2620 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6352 0.8794 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5771 1.0015 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4344 -0.3451 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

hexadecane

4.2 InChl

InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

4.3 InChlKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCCCCCCCC

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
白鬼笔	Stinking Polecat, Wood Witch	Phallus impudicus
白兰花	Bailan Flower	Michelia alba
白前	Cynchum root	Rhizoma cynchi stauntonii
白芷	Dahurian Angelica Root	Radix Angelicae Dahuricae
半夏	tuber of Pinellia	Rhizoma Pinelliae
北刘寄奴	Siphonostegiae Herba	-
荜茇	Piperis Longi Fructus	-
荜茇根	Radix Piperis longi	-
薄荷	Mentha, Peppermint	herba Menthae
苍耳	Siberian Cocklebur	Xanthium sibiricum [Syn. Xanthium strumarium ]

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型