Basic information
- CAS
64005-62-5- Standard SMILES
CCCCCN(N=O)C(=O)OCC- InChIKey
QKACYYADMAYIDQ-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609238
Names & identifiers
- Preferred name
- N-amyl-N-nitrosourethane
- IUPAC
- ethyl N-nitroso-N-pentylcarbamate
- English name
- N-amyl-N-nitrosourethane
- Molecular formula
- C8H16N2O3
- Molecular weight
- 188.22
Names & synonyms
N-Amyl-N-nitrosourethane64005-62-5CARBAMIC ACID, N-NITROSO-N-PENTYL-, ETHYL ESTER73815X072UANURRefChem:927052ethyl nitroso(pentyl)carbamateNitrosoamylurethaneNitrosopentylcarbamic acid, ethyl esterethyl N-nitroso-N-pentylcarbamateCCRIS 1375NITROSOAMYLURETHAN
Show more names
Nitroso(pentyl)carbamic acid ethylN-Nitroso-N-pentylcarbamic acid ethylNitroso(pentyl)carbamic acid ethyl esterN-Nitroso-N-pentylcarbamic acid ethyl ester
Carbamic acid,N-nitroso-N-pentyl-, ethyl esterDTXSID8021018N-NITROSO-N-AMYLURETHANE-UNII-73815X072UAMYL-N-NITROSOURETHANE, N-AKOS006278223ETHYL N-NITROSO-N-PENTYL-CARBAMATECarbamic acid, nitrosopentyl-, ethyl ester
Database identifiers
- CAS
64005-62-5- PubChem CID
- 46335
- DTXSID
DTXSID8021018- UNII
- 73815X072U
- Nikkaji
- J1.120G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 323.23 °C · 323.23°C (rough estimate)
- Density
- 1.1793 · 1.1793 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- -2.67 · -2.67±0.70(Predicted)
- FDA UNII
- 73815 X072U · 73815X072U
- Toxicity
- N-NITROSO-N-PENTYLCARBAMIC ACID-ETHYL ESTER
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- N-NITROSO-N-PENTYLCARBAMIC ACID-ETHYL ESTER
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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