1-金刚烷甲醇 | 770-71-8
中文名称:
1-金刚烷甲醇
英文名称:
1-adamantylmethanol
CAS No.:
770-71-8
分子式:
C1 1 H1 8 O
分子量:
166.2600
名称和标识符
MDL
MFCD00074751
InChIKey
MDVGOOIANLZFCP-UHFFFAOYSA-N
Inchi
1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
SMILES
O([H])C([H])([H])C12C([H])([H])C3([H])C([H])([H])C([H])(C([H])([H])C([H])(C3([H])[H])C1([H])[H])C2([H])[H]
BRN
1853339
别名信息
- 中文别名 -
1-金刚烷甲醇
1-羟甲基金刚烷
[5-(2,4-二氟苯基)-3-吡啶基]甲醇
1-Adamantanemethanol 1-金刚烷甲醇
1-金刚烷甲醇,1-Adamantanemethanol
- 英文别名 -
Adamantan-1-ylmethanol
tricyclo(3.3.1.13,7)dec-1-ylmethanol
1-(Hydroxymethyl)adamantane
1-Tricyclo[3.3.1.1(3,7)]decanemethanol
1-Adamantane Methanol
1-Adamantylmethanol
1-adamantanemethannol
1-Adamantlcarbinol
1-Hydroxymethyladamantane
Adamantane-1-methanol
Adamantanemethanol
RARECHEM AQ TC 1004
1-Adamantanemethanol
Tricyclo[3.3.1.13,7]decane-1-methanol
Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol
(ADAMANTAN-1-YL)METHANOL
MDVGOOIANLZFCP-UHFFFAOYSA-N
Tricyclo[3.3.1.13,7]decanemethanol
adamantanylmethan-1-ol
1-hydroxymethyl-adamantane
1-adamantanmethanol
adamantyl
3-(Hydroxymethyl)adamantane
1-adamantylmethanol
adamantane-1-methanol
AC-16261
SCHEMBL236361
Hexahydro-2,5-methanopentalene-3a(1H)-methanol
SCHEMBL17418023
AKOS023552911
W-104329
DTXSID20227818
adamantan-1-yl-methanol
HMS1396J03
PB13004
H0420
3-Noradamantanemethanol
1-Adamantanemethanol, 99%
1-adamantyl methanol
AKOS015908695
BCP04222
EN300-16797
P10060
BDBM36249
1-Hydroxylmethyladamantane
adamantan-1-ylmethanol
1-Adamantane-methanol
AKOS003619580
BB 0322388
W-206071
AKOS000100807
770-71-8
AS-14217
FT-0607300
NS00037879
SY015615
GEO-04333
EINECS 212-225-3
1-adamantyl methylalcohol
adamantyl methylalcohol
Tricyclo[3.3.1.1(3,7)-]decane-1-methanol
adamantanemethanol
A9763
Enamine_000905
MFCD00074751
1-Adamantanemethanol (6CI,7CI,8CI)
(Adamantan-1-yl)methanol
1-(Hydroxymethyl)adamantane
1-Adamantylcarbinol
1-Adamantylmethanol
CS-W020560
(1-hydroxymethyl)adamantane
Z56782532
AKOS001033003
物化性质
实验特性
LogP
2.19510
PSA
20.23000
折射率
1.5000 (estimate)
水溶性
Insoluble in water. Solubility in methanol (almost transparency).
沸点
263.1°C at 760 mmHg
熔点
115.0 to 119.0 deg-C
闪点
123.4℃
颜色与性状
未确定
溶解性
未确定
密度
0.8802 (rough estimate)
计算特性
精确分子量
166.13600
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
1
同位素质量
166.136
重原子数量
12
复杂度
156
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
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)
2.4
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
20.2
海关数据
海关编码
2906199090
海关数据
中国海关编码:
2906199090
概述:
2906199090. 其他环烷醇,环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
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参考资料
Reaxys RN
1853339
Beilstein
1853339
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