Basic information
- CAS
76206-38-7- Standard SMILES
CCCCN(N=O)C(=O)Oc1cccc2ccccc12- InChIKey
UBTGLESVPRABPB-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-naphthyl-N-butyl-N-nitrosocarbamate
- IUPAC
- naphthalen-1-yl N-butyl-N-nitrosocarbamate
- English name
- 1-Naphthyl-N-butyl-N-nitrosocarbamate
- Molecular formula
- C15H15N2O3-
- Molecular weight
- 271.2912
Names & synonyms
1-Naphthyl-N-butyl-N-nitrosocarbamate76206-38-7DTXSID50227068Carbamic acid, butylnitroso-, 1-naphthalenyl esterRefChem:765411-NBNCBDTXCID501495591-Naphthyl N-butyl-N-nitrosocarbamateN-Butyl-N-nitrosocarbamic acid 1-naphthyl esterCARBAMIC ACID, BUTYLNITROSO-, 1-NAPHTHYL ESTERnaphthalen-1-yl butyl(nitroso)carbamate
Database identifiers
- CAS
76206-38-7- PubChem CID
- 53465
- DTXSID
DTXSID50227068- Nikkaji
- J77.634C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 415.36 °C · 415.36°C (rough estimate)
- Density
- 1.1469 · 1.1469 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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