CAS No.: 630-03-5 — Nonacosane (正二十九烷)

1. Primary Information

English name:	Nonacosane
CAS No.:	630-03-5
Molecular formula:	C₂₉H₆₀
Molecular weight:	408.8 g/mol
SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Structural class:
Other identifiers:	nonacosane

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	GC≥98%	128	Buy now	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	179	Buy now	2-8℃	in stock	-
Kehua Intelligence	500mg	98%	627	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

nonacosane

4.2 InChI

InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3

4.3 InChIKey

IGGUPRCHHJZPBS-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 12.9904 19.5 0 0
M  V30 2 C 12.1244 20 0 0
M  V30 3 C 11.2583 19.5 0 0
M  V30 4 C 11.2583 18.5 0 0
M  V30 5 C 10.3923 18 0 0
M  V30 6 C 10.3923 17 0 0
M  V30 7 C 9.52628 16.5 0 0
M  V30 8 C 9.52628 15.5 0 0
M  V30 9 C 8.66025 15 0 0
M  V30 10 C 8.66025 14 0 0
M  V30 11 C 7.79423 13.5 0 0
M  V30 12 C 7.79423 12.5 0 0
M  V30 13 C 6.9282 12 0 0
M  V30 14 C 6.9282 11 0 0
M  V30 15 C 6.06218 10.5 0 0
M  V30 16 C 6.06218 9.5 0 0
M  V30 17 C 5.19615 9 0 0
M  V30 18 C 5.19615 8 0 0
M  V30 19 C 4.33013 7.5 0 0
M  V30 20 C 4.33013 6.5 0 0
M  V30 21 C 3.4641 6 0 0
M  V30 22 C 3.4641 5 0 0
M  V30 23 C 2.59808 4.5 0 0
M  V30 24 C 2.59808 3.5 0 0
M  V30 25 C 1.73205 3 0 0
M  V30 26 C 1.73205 2 0 0
M  V30 27 C 0.866025 1.5 0 0
M  V30 28 C 0.866025 0.5 0 0
M  V30 29 C -0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 26 27
M  V30 27 1 27 28
M  V30 28 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END

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)