CAS No.: 74124-79-1 — Bis(2,5-dioxopyrrolidin-1-yl) carbonate (N,N'-二琥珀酰亚胺基碳酸酯)

1. Primary Information

English name:	Bis(2,5-dioxopyrrolidin-1-yl) carbonate
CAS No.:	74124-79-1
Molecular formula:	C₉H₈N₂O₇
Molecular weight:	256.17 g/mol
SMILES:	C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	高纯，98%	24	-20°C	in stock	-
Kehua Intelligence	25g	高纯，98%	44	-20°C	in stock	-
Kehua Intelligence	100g	高纯，98%	144	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 1.1264 -0.0051 -1.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 0.0037 -1.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 -2.3164 -0.1989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 2.2903 -0.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 2.3164 -0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 -2.2902 -0.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.0009 0.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -0.0092 -0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 0.0090 -0.3477 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -0.7803 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 0.7491 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 0.7818 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1317 -0.7476 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -1.1685 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9365 1.1431 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 1.1687 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 -1.1428 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.0010 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -1.1486 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -1.2077 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 1.1149 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 1.1751 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 1.1503 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9996 1.2098 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0492 -1.1128 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 -1.1734 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

bis(2,5-dioxopyrrolidin-1-yl) carbonate

4.2 InChI

InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2

4.3 InChIKey

PFYXSUNOLOJMDX-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)