CAS No.: 17316-67-5 — 2-(Butylamino)propan-2-yl-hydroxy-oxophosphanium (布他磷)

1. Primary Information

English name:	2-(Butylamino)propan-2-yl-hydroxy-oxophosphanium
CAS No.:	17316-67-5
Molecular formula:	C₇H₁₇NO₂P+
Molecular weight:	178.19 g/mol
SMILES:	CCCCNC(C)(C)[P+](=O)O
Structural class:
Other identifiers:	2-(butylamino)propan-2-yl)phosphinic acid butafosfan butaphosphan

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	95%	5760	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 27 0 0 0 0 0 0 0999 V2000 2.4193 0.7452 -0.6638 P 0 3 0 0 0 0 0 0 0 0 0 0 3.7959 0.1934 -0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 1.8475 0.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 0.2102 -0.2461 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -0.5421 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 -0.4894 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 0.4173 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -1.8155 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -0.8622 1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -0.3058 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9573 0.6015 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -0.7929 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -1.3914 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 0.4899 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 0.7481 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 1.3178 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 -2.5834 -0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 -2.2529 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.6217 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -1.6033 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -1.2801 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 0.0274 2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 -0.6552 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 -1.1906 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 0.0641 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9032 1.4800 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0142 0.9453 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 0.8417 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M CHG 1 1 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(butylamino)propan-2-yl-hydroxy-oxophosphanium

4.2 InChI

InChI=1S/C7H16NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8H,4-6H2,1-3H3/p+1

4.3 InChIKey

YHLWPOLSPCBOPC-UHFFFAOYSA-O

4.4 Canonical SMILES

CCCCNC(C)(C)[P+](=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)