CAS No.: 70628-36-3 — N-Isopropyl-N-phenyloxamic acid (扑草胺-OXALAMIC ACID (OA))

1. Primary Information

English name:	N-Isopropyl-N-phenyloxamic acid
CAS No.:	70628-36-3
Molecular formula:	C₁₁H₁₃NO₃
Molecular weight:	207.23 g/mol
SMILES:	CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O
Structural class:
Other identifiers:	N-isopropyl-N-phenyloxamic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100ug/ml	2240	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 28 0 0 0 0 0 0 0999 V2000 -2.6712 -0.4159 0.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -2.6599 -0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 -2.0049 -0.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 0.5817 -0.0293 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 1.9512 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 0.2805 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 2.7578 1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4371 2.0153 -0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -0.4499 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.7197 0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 1.0202 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.0077 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 0.7323 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 -0.2816 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -1.7994 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 2.4261 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 3.7938 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 2.3333 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 2.7794 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 1.3442 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 3.0320 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 1.7882 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -1.2568 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 1.7824 -1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -1.7870 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 1.2899 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -0.5051 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9918 -3.5600 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-oxo-2-(N-propan-2-ylanilino)acetic acid

4.2 InChI

InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)

4.3 InChIKey

HYHJOUPYTUBFIX-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C(=O)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)