CAS No.: 73463-39-5 — 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid (3-(环己氨基)2-羟基-1-丙磺酸)

1. Primary Information

English name:	3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
CAS No.:	73463-39-5
Molecular formula:	C₉H₁₉NO₄S
Molecular weight:	237.32 g/mol
SMILES:	C1CCC(CC1)NCC(CS(=O)(=O)O)O
Structural class:
Other identifiers:	3-(cyclohexylamino)-2-hydroxy-1-propanesulfonic acid CAPSO compound

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	BR，99%	32	RT	in stock	-
Kehua Intelligence	100g	BR，99%	104	RT	in stock	-
Kehua Intelligence	500g	BR，99%	448	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 34 0 1 0 0 0 0 0999 V2000 -3.7797 -0.4561 0.2259 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 1.9702 -0.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 -1.6406 1.3346 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -1.0032 -1.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4494 0.7352 0.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -0.2539 -0.6261 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 0.0342 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 0.7036 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 -1.2409 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 0.9681 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5228 -0.9747 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 -0.3039 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 0.9675 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 0.7256 -0.6641 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0335 -0.2311 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4897 0.7255 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.0757 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0376 1.6797 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -1.6646 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -2.0019 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2152 1.3844 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 1.7219 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 -0.3339 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 -1.9177 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9039 -0.0659 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -1.0036 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 -0.7147 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 1.4588 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 1.6968 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6923 0.3326 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 0.1592 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -1.2185 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0793 1.8465 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 -2.5204 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 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 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

4.2 InChI

InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)

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)

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)