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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 Weight:
153.18099999999998 g/mol
Names and Synonyms:
Butyl Cyanoacrylate
2-Propenoic acid, 2-cyano-, butyl ester
Acrylic acid, 2-cyano-, butyl ester
Butyl cyanoacrylate
Butyl 2-cyanoacrylate
n-Butyl 2-cyanoacrylate
Butyl α-cyanoacrylate
BK 200
BK 201
BK 300
BK 301 (adhesive)
BK 301
Enbucrilate
BK 201 (adhesive)
Tisuacryl
Indermil
Sicomet 6000
Histacryl Blue
InteguSeal Clear
Integuseal Microbial Sealant
Integuseal
Indermil Tissue Adhesive
Hystoacryl
Glubranh 1
Z 26
1-Butyl 2-cyanoacrylate
Identifiers:
SMILES:
C=C(C#N)C(=O)OCCCC
InChI:
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.18099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.078978592 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 50.09 Ų | RDKit |
| Physical Properties | LogP | 1.40948 | RDKit |
| molecular_mass | 153.18 g/mol | Legacy Database | |
| density | 0.99 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Butyl_cyanoacrylate | Legacy Database | |
| cas-boiling-point | 69-72 °C @ Press: 1.6 Torr | Legacy Database | |
| cas-canonical-smile | N#CC(=C)C(=O)OCCCC | Legacy Database | |
| cas-density | 0.986 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=JJJFUHOGVZWXNQ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Butyl cyanoacrylate | Legacy Database | |
| wikipedia-name | Butyl cyanoacrylate | Legacy Database | |
| Molar | Molar Refractivity | 40.62000000000002 | RDKit |
