CAS No.: 3811-25-4 — Clorprenaline (氯丙那林)

1. Primary Information

English name:	Clorprenaline
CAS No.:	3811-25-4
Molecular formula:	C₁₁H₁₆ClNO
Molecular weight:	213.70 g/mol
SMILES:	CC(C)NCC(C1=CC=CC=C1Cl)O
Structural class:
Other identifiers:	chlorprenaline clorprenaline clorprenaline hydrochloride clorprenaline hydrochloride anhydrous clorprenaline hydrochloride, (+-)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	416	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	1472	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 30 0 1 0 0 0 0 0999 V2000 2.0044 -2.5798 -0.4905 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -0.4545 1.9639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 -0.5238 0.1197 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2686 0.0359 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 -0.6396 0.5642 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6324 0.1233 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -0.0683 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 1.6224 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 -0.5191 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -0.8816 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 1.2944 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4576 -0.3182 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6335 1.8577 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 1.0514 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 -0.0775 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 1.1010 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 -1.7166 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 -0.0311 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -1.5266 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 2.0693 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 1.8346 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 2.1541 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 -1.5923 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7827 -0.0684 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 -0.3939 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 1.9415 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 -0.7653 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 -0.9328 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 2.9232 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 1.4898 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 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 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol

4.2 InChI

InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3

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)