CAS No.: 6606-65-1 — Enbucrilate (恩布酯)

1. Primary Information

English name:	Enbucrilate
CAS No.:	6606-65-1
Molecular formula:	C₈H₁₁NO₂
Molecular weight:	153.18 g/mol
SMILES:	CCCCOC(=O)C(=C)C#N
Structural class:
Other identifiers:	2 Cyanobutylacrylate 2-Cyanobutylacrylate 2-Cyanobutylacrylates Butyl 2 Cyanacrylate Butyl 2-Cyanacrylate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	≥95%	160	RT	in stock	-
Kehua Intelligence	5ml	≥95%	560	RT	in stock	-
Kehua Intelligence	10ml	≥95%	880	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 21 0 0 0 0 0 0 0999 V2000 0.0367 0.0792 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 2.1273 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -2.4879 -0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3931 -0.3459 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 0.2732 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 0.7189 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -0.7935 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 0.9050 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3031 0.0969 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 0.7544 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -1.3275 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.9875 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2619 -1.0029 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 0.9249 0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 0.8979 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 1.3451 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 1.3513 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -1.4140 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8073 -1.4459 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -0.3282 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5293 1.8381 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 0.2217 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 11 3 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

butyl 2-cyanoprop-2-enoate

4.2 InChI

InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3

4.3 InChIKey

JJJFUHOGVZWXNQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCOC(=O)C(=C)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)