CAS No.: 6876-23-9 — trans-1,2-Dimethylcyclohexane (反-1,2-二甲基环己胺)

1. Primary Information

English name:	trans-1,2-Dimethylcyclohexane
CAS No.:	6876-23-9
Molecular formula:	C₈H₁₆
Molecular weight:	112.21 g/mol
SMILES:	CC1CCCCC1C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	99%	296	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 1 0 0 0 0 0999 V2000 0.6502 0.7188 -0.2882 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6502 -0.7189 0.2882 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6314 1.4678 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.4678 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 0.7064 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8904 -0.7062 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 1.5289 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 -1.5290 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.6562 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 -0.6562 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6489 2.4585 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 1.6321 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -2.4584 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -1.6328 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 0.6618 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 1.2463 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 -0.6615 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 -1.2461 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 1.5575 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 1.1079 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 2.5611 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 -1.1080 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -2.5612 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 -1.5578 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,2R)-1,2-dimethylcyclohexane

4.2 InChI

InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

4.3 InChIKey

KVZJLSYJROEPSQ-HTQZYQBOSA-N

4.4 Canonical SMILES

CC1CCCCC1C

4.5 Isomeric SMILES

C[C@@H]1CCCC[C@H]1C

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)