Basic information
- CAS
63884-59-3- Standard SMILES
CCN(CC)C(=O)Oc1cc(C)c(N=O)c(C)c1- InChIKey
MKYDXFDUEPMSHN-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Carbamic acid, diethyl-, 4-nitroso-3,5-xylyl ester
- IUPAC
- (3,5-dimethyl-4-nitrosophenyl) N,N-diethylcarbamate
- English name
- N,N-Diethylcarbamic acid 4-nitroso-3,5-xylyl ester
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
63884-59-3CARBAMIC ACID, DIETHYL-, 4-NITROSO-3,5-XYLYL ESTERDTXSID70213408RefChem:1080884DTXCID30135899TL-1077NIOSH/EZ43933323,5-Dimethyl-4-nitrosophenyl diethylcarbamateCarbamic acid, diethyl-, 3,5-dimethyl-4-nitrosophenyl esterEZ43933320Phenol, 3,5-dimethyl-4-nitroso-, diethylcarbamateTL 1077
Show more names
Carbamic acid, diethyl-, 3,5-dimethyl-4-nitrosophenyl ester (9CI)
N,N-diethylcarbamic acid 4-nitroso-3,5-xylyl esterDB-221450
Database identifiers
- CAS
63884-59-3- PubChem CID
- 44940
- DTXSID
DTXSID70213408- Nikkaji
- J67.573C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 384 · 384.0±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- -1.52 · -1.52±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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