CAS No.: 2243-27-8 — Nonanenitrile (壬基腈)

1. Primary Information

English name:	Nonanenitrile
CAS No.:	2243-27-8
Molecular formula:	C₉H₁₇N
Molecular weight:	139.24 g/mol
SMILES:	CCCCCCCCC#N
Structural class:
Other identifiers:	n-octyl cyanide nonanenitrile

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	>98%(GC)	760	RT	in stock	-
Kehua Intelligence	25g	>98%(GC)	456	RT	in stock	-
Kehua Intelligence	500g	>98%(GC)	6640	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 26 0 0 0 0 0 0 0999 V2000 5.4291 -0.6959 -0.0332 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 -0.3060 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8686 0.4975 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.6179 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -0.3777 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 -0.1862 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 0.3699 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2034 0.7020 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6727 -0.5413 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -0.0800 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -0.9541 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 -0.9583 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 1.1663 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 1.1367 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.2583 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 1.2772 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -1.0899 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1096 -0.9779 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -0.8486 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -0.8381 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 1.1031 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 0.9344 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 1.3169 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 1.3919 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -1.2669 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5942 0.0458 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 -1.0916 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 3 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 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 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

nonanenitrile

4.2 InChI

InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

4.3 InChIKey

PLZZPPHAMDJOSR-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCC#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)