Basic information
- CAS
19475-26-4- Standard SMILES
C=C(C#N)C(=O)OCCC(C)C- InChIKey
GASDVTHQNCFANM-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
Isoamyl 2 Cyanoacrylate is under investigation in clinical trial NCT02698644 (Hysteroscopic Tubal Occlusion With the Use of Iso Amyl-2-cyanoacrylate).
Names & identifiers
- Preferred name
- Isoamyl 2-cyanoacrylate
- IUPAC
- 3-methylbutyl 2-cyanoprop-2-enoate
- English name
- isoamyl 2-cyanoacrylate
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
Isoamyl 2-cyanoacrylateisopentyl 2-cyanoacrylate3-methylbutyl 2-cyanoprop-2-enoate19475-26-4isoamyl cyanoacrylate2-Propenoic acid, 2-cyano-, 3-methylbutyl ester3977IRA64JACRYLIC ACID, 2-CYANO-, ISOPENTYL ESTERDTXSID30173115isopentyl cyanoacrylateRefChem:148993DTXCID7095606
Show more names
2-Cyanoacrylic acid isopentyl ester2-Cyanopropenoic acid 3-methylbutyl ester
BRN 1934875UNII-3977IRA64Jiso amyl2-cyanoacrylateSCHEMBL450802ISOAMYL-2-CYANOACRYLATECHEMBL4297394SCHEMBL28744654ISOAMYL ALPHA-CYANOACRYLATE
Database identifiers
- CAS
19475-26-4- PubChem CID
- 29626
- DTXSID
DTXSID30173115- ChEMBL
CHEMBL4297394- UNII
- 3977IRA64J
- Nikkaji
- J33.794C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 244.5 · 244.5±23.0 °C(Predicted)
- Density
- 0.9795 g/cm3 · 0.9795 g/cm3
- FDA UNII
- 3977 IRA64J · 3977IRA64J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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