CAS No.: 621-64-7 — N-Nitrosodipropylamine (N-亚硝基二正丙胺)

1. Primary Information

English name:	N-Nitrosodipropylamine
CAS No.:	621-64-7
Molecular formula:	C₆H₁₄N₂O
Molecular weight:	130.19 g/mol
SMILES:	CCCN(CCC)N=O
Structural class:
Other identifiers:	dipropylnitrosamine N,N-dipropylnitrosamine N-nitroso(di-n-propyl)amine n-Nitrosodi-n-propylamine N-nitrosodipropylamine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	200μg/ml in dichloromethane	208	2-8℃	in stock	-
Kehua Intelligence	1ml	2000μg/ml in methanol	416	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	1384	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 0 0 0 0 0 0999 V2000 -0.1191 2.5098 0.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.4707 -0.0611 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 1.7205 -0.3918 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 0.0406 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -0.4878 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9612 -0.8969 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 -0.5057 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 -1.3777 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 -1.4735 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 0.8967 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 -0.4259 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -1.5081 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3555 -0.2647 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -1.7728 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.3824 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 0.4931 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -0.7969 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0092 -0.5356 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -1.9282 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7692 -2.0449 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 -2.4946 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 -1.1905 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 -1.4729 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N,N-dipropylnitrous amide

4.2 InChI

InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3

4.3 InChIKey

YLKFDHTUAUWZPQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCN(CCC)N=O

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)