Basic information
- CAS
19935-86-5- Standard SMILES
CCCN(N=O)C(=O)OCC- InChIKey
GYRIHMGMOJCEPJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479225
Names & identifiers
- Preferred name
- N-propyl-N-nitrosourethane
- IUPAC
- ethyl N-nitroso-N-propylcarbamate
- English name
- N-Nitroso-N-N-propylurethan
- Molecular formula
- C6H12N2O3
- Molecular weight
- 160.17
Names & synonyms
N-Propyl-N-nitrosourethane19935-86-58OM74LF8EFCARBAMIC ACID, N-NITROSO-N-PROPYL-, ETHYL ESTERNSC-123131DTXSID90173712RefChem:164160DTXCID2096203N-Propyl-N-nitrosourethanethyl N-nitroso-N-propylcarbamateN-Nitroso-N-propylurethaneCarbamic acid, nitrosopropyl-, ethyl ester
Show more names
N-Nitroso-N-N-propylurethanN-Nitroso-N-propylcarbamic acid ethyln-nitroso-n-propyl-carbamicaciethylesterN-Nitroso-N-propylcarbamic acid ethyl ester
ethyl nitroso(propyl)carbamateNSC 123131BRN 1778057UNII-8OM74LF8EF1-04-00-00367 (Beilstein Handbook Reference)SCHEMBL106465GYRIHMGMOJCEPJ-UHFFFAOYSA-N1-PROPYL-1-NITROSOURETHANE
Database identifiers
- CAS
19935-86-5- PubChem CID
- 29862
- DTXSID
DTXSID90173712- UNII
- 8OM74LF8EF
- Nikkaji
- J2.753G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 286.06 °C · 286.06°C (rough estimate)
- Density
- 1.2751 · 1.2751 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- -2.73 · -2.73±0.70(Predicted)
- FDA UNII
- 8 OM74LF8EF · 8OM74LF8EF
Chemistry & industry
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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