CAS No.: 4707-58-8 — 8-Amino-7-oxononanoic acid (7-Keto-8-aminopelargonic acid)

1. Primary Information

English name:	8-Amino-7-oxononanoic acid
CAS No.:	4707-58-8
Molecular formula:	C₉H₁₇NO₃
Molecular weight:	187.24 g/mol
SMILES:	CC(C(=O)CCCCCC(=O)O)N
Structural class:
Other identifiers:	7-keto-8-aminopelargonic acid 8-amino-7-oxononanoic acid KAPA cpd

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	4000	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 29 0 1 0 0 0 0 0999 V2000 -2.8311 1.4606 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 -0.7024 -0.0867 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 1.2729 0.3755 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 0.5378 -0.7244 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 0.2499 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -0.6169 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6341 -0.5502 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1742 0.1754 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.2768 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 -0.4409 -0.2325 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4324 -0.6742 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6953 -1.0820 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 0.0932 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 1.1086 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 0.6559 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -0.9980 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -1.4860 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -1.4097 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -0.9175 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 0.5804 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 1.0386 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0787 -1.2083 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.5186 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4672 -1.0633 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8266 -0.3362 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 -1.5978 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9684 -1.8167 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0819 0.0828 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 0.8872 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 -0.2137 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 13 2 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

8-amino-7-oxononanoic acid

4.2 InChI

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)

4.3 InChIKey

GUAHPAJOXVYFON-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C(=O)CCCCCC(=O)O)N

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)