tert-butyl N-[N'-(2-aminoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Catalog No: FT-0761401

CAS No: 203258-44-0

Chemical Name: tert-butyl N-[N'-(2-aminoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
Molecular Formula: C13H26N4O4
Molecular Weight: 302.37
InChI Key: GKQKBELHRNEGCI-UHFFFAOYSA-N
InChI: InChI=1S/C13H26N4O4/c1-12(2,3)20-10(18)16-9(15-8-7-14)17-11(19)21-13(4,5)6/h7-8,14H2,1-6H3,(H2,15,16,17,18,19)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	N/A
CAS:	203258-44-0
MF:	C13H26N4O4
Density:	1.137g/cm3
Melting_Point:	95-98ºC
Product_Name:	tert-butyl N-[N'-(2-aminoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
Flash_Point:	N/A
FW:	302.37000

PSA:	115.04000
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）2 ', '2 氢键供体数量3 ', '3 氢键受体数量6 ', '4 可旋转化学键数量8 ', '5 互变异构体数量5 ', '6 拓扑分子极性表面积（TPSA）115 ', '7 重原子数量21 ', '8 表面电荷0 ', '9 复杂度362 ', '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']
MF:	C13H26N4O4
LogP:	2.83260
Computational_Chemistry:	['1. XlogP :2 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :5 ', '6. TPSA 115 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :362 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	302.19500
Density:	1.137g/cm3
FW:	302.37000
Refractive_Index:	1.498
Melting_Point:	95-98ºC