136465-81-1
中文名称
N-叔丁基-十氢异喹啉-3(S)-甲酰胺
英文名称
N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
CAS
136465-81-1
分子式
C14H26N2O
MDL 编号
MFCD01313226
分子量
238.37
MOL 文件
136465-81-1.mol
更新日期
2026/01/22 08:29:28
136465-81-1 结构式
基本信息
中文别名
N-叔丁基-十氢异喹啉-3(S)-甲酰胺S-十氢异喹啉-3-N-叔丁基甲酰胺
英文别名
[3S-(3ALPHA,4ABETA,8ABETA)]-N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE(3s,4as,8ar)-n-tert-butyldecahydroisoquinoline-3-carboxamide
[(3S)-4-AZABICYCLO[4.4.0]DEC-3-YL]-N-(TERT-BUTYL)CARBOXAMIDE
N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
(S)-T-BUTYL-DECAHYDRO-3-ISOQUINOLINE CARBOXAMIDE
(S)-(-)-TERT-BUTYL-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
(S)-TERT-BUTYL DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
TIMTEC-BB SBB009946
Phiq
(S)-Tert-Butyl-Decahydro-3-Isoquinolinecarboxamide 136465-81-1
(3S(3ALPHA,4A BETA,8A BETA))-N-T-BUTYL)- DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE98%
N-tert-Butyl Decahydroisoquinoline-3(S)-Carboxamide
3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)-
[3s-(3α,4aβ,8aβ)]-n-(tert-butyl)decahydro-3-isoquinolinecarboxamide
(S)-N-TERT-BUTYL DECAHIDRO-3- ISOQUINOLINE CARBOXAMIDE
(S,S,S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide.
s-(-)-tert-Butyl-decahydro-3-isoquinolinecarboxamide, Registry
N-tert-Butyl-decahydro-(4aS, 8aS)-isochinolin-3(S)-carboxamide
(S)-N-T-BUTYL DECAHYDRO-3-ISO-QUINOLINECARBOXAMIDE
(S)-TERT-BUTYL)-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE98%
所属类别
原料药：专科用药物理化学性质
熔点112-115 °C(lit.)
比旋光度-70 º
沸点380.97°C (rough estimate)
密度1.09
蒸气压0.001-0.01Pa at 25-40℃
折射率1.4590 (estimate)
储存条件under inert gas (nitrogen or Argon) at 2–8 °C
溶解度Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa)15.65±0.20(Predicted)
形态powder to crystal
颜色White to Almost white
旋光度 (Optical Rotation)[α]22/D 71°, c = 1 in methanol
InChI1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
InChIKeyUPZBXVBPICTBDP-TUAOUCFPSA-N
SMILESCC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1
表面张力51.9mN/m at 1g/L and 20℃
解离常数8.64 at 24℃
安全数据
警示词危险
危险性描述H302-H318-H412
危险品标志Xi
危险类别码22-41-52/53
安全说明S24/25
WGK Germany3
Hazard NoteIrritant
海关编码29334900
存储类别11 - Combustible Solids
危险性类别Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Aquatic Chronic 3
Eye Dam. 1
N-叔丁基-十氢异喹啉-3(S)-甲酰胺价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2025/12/22 | B3410 | (S)-N-叔丁基十氢异喹啉-3-甲酰胺 (S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide | 136465-81-1 | 5G | 180元 |
| 2025/12/22 | XW0213646581104 | (3S,4aS,8aS)-N-(叔丁基)十氢异喹啉-3-甲酰胺 (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide | 136465-81-1 | 10g | 269元 |
| 2025/12/22 | XW0213646581103 | (3S,4aS,8aS)-N-(叔丁基)十氢异喹啉-3-甲酰胺 (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide | 136465-81-1 | 5g | 177元 |