CAS No.: 31828-71-4 — Mexiletine (美西律)

1. Primary Information

English name:	Mexiletine
CAS No.:	31828-71-4
Molecular formula:	C₁₁H₁₇NO
Molecular weight:	179.26 g/mol
SMILES:	CC1=C(C(=CC=C1)C)OCC(C)N
Structural class:
Other identifiers:	KO 1173 KO-1173 KO1173 KOE 1173 KOE-1173

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	≥90%	1920	2-8°C	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 -0.7219 -0.1308 0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9941 -0.5398 -1.0632 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0664 -0.3320 0.0475 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6363 -0.2880 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.0319 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -1.1821 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 1.2184 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 0.9476 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 -1.0810 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 1.3194 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 0.1697 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 -2.5303 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 2.4609 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -1.1727 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -1.2197 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 0.5415 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 0.9085 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 1.8319 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 1.0879 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -1.9679 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9711 2.2865 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 0.2443 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9516 -0.5462 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 0.2482 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 -2.5031 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -2.8949 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 -3.2587 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 2.5862 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 2.4326 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 3.3501 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 13 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 11 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 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 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(2,6-dimethylphenoxy)propan-2-amine

4.2 InChI

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

4.3 InChIKey

VLPIATFUUWWMKC-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=C(C(=CC=C1)C)OCC(C)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)