Carbamic acid, N-isobutyl-N-nitroso-, ethyl ester
Basic information
- CAS
24423-85-6- Standard SMILES
CCOC(=O)N(CC(C)C)N=O- InChIKey
SRVHGAWALGBEAV-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Names & identifiers
- Preferred name
- Carbamic acid, N-isobutyl-N-nitroso-, ethyl ester
- IUPAC
- ethyl N-(2-methylpropyl)-N-nitrosocarbamate
- English name
- N-I-Butyl-N-nitrosourethane
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
24423-85-6CARBAMIC ACID, N-ISOBUTYL-N-NITROSO-, ETHYL ESTERN-Isobutyl-N-nitrosourethaneBRN 2361745ethyl isobutyl(nitroso)carbamateethyl N-(2-methylpropyl)-N-nitrosocarbamate79YW9B8RE7Carbamic acid, (2-methylpropyl)nitroso-, ethyl esterDTXSID30179177Ethyl (2-methylpropyl)(nitroso)carbamateCarbamic acid, N-(2-methylpropyl)-N-nitroso-, ethyl esterN-I-Butyl-N-nitrosourethane
Show more names
N-Isobutyl-N-nitrosourethanN-Isobutyl-N-nitrosocarbamic acid ethylN-Isobutyl-N-nitrosocarbamic acid ethyl ester
Database identifiers
- CAS
24423-85-6- PubChem CID
- 32365
- DTXSID
DTXSID30179177- UNII
- 79YW9B8RE7
- Nikkaji
- J3.475D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 59.5 · 59.5-60.5 °C(Press: 0.3 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- -2.73 · -2.73±0.70(Predicted)
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Compound notes
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