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Molecule
Butyl Cyanoacrylate
CAS: 6606-65-1 · C8H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6606-65-1
- Molecular Formula
- C8H11NO2
- Molecular Mass
- 153.18 g/mol
Identifiers
CAS Registry Number
6606-65-1
SMILES
C=C(C#N)C(=O)OCCCC
InChI Key
JJJFUHOGVZWXNQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3
Names and Synonyms
- Butyl Cyanoacrylate Synonym
- 2-Propenoic acid, 2-cyano-, butyl ester Synonym
- Acrylic acid, 2-cyano-, butyl ester Synonym
- Butyl cyanoacrylate Synonym
- Butyl 2-cyanoacrylate Synonym
- n-Butyl 2-cyanoacrylate Synonym
- Butyl α-cyanoacrylate Synonym
- BK 200 Synonym
- BK 201 Synonym
- BK 300 Synonym
- BK 301 (adhesive) Synonym
- BK 301 Synonym
- Enbucrilate Synonym
- BK 201 (adhesive) Synonym
- Tisuacryl Synonym
- Indermil Synonym
- Sicomet 6000 Synonym
- Histacryl Blue Synonym
- InteguSeal Clear Synonym
- Integuseal Microbial Sealant Synonym
- Integuseal Synonym
- Indermil Tissue Adhesive Synonym
- Hystoacryl Synonym
- Glubranh 1 Synonym
- Z 26 Synonym
- 1-Butyl 2-cyanoacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.18 g/mol | CAS Common Chemistry |
| 153.18099999999998 g/mol | RDKit | |
| 153.181 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.986 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butyl_cyanoacrylate | CAS Common Chemistry |
| Canonical SMILES | N#CC(=C)C(=O)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJJFUHOGVZWXNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butyl cyanoacrylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 50.09 Ų | RDKit |
| LogP | 1.40948 | RDKit |
| 1.4095 | RDKit | |
| Molar Refractivity | 40.62000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 153.078978592 g/mol | RDKit |
| Boiling Point | 69-72 °C @ 1.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 153.18 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO2.
