Basic information
- CAS
142181-97-3- Standard SMILES
CN(C)C(=O)NN(CCCN)C(=O)Oc1ccccc1- InChIKey
MQOBEEMDFNRXKY-UHFFFAOYSA-N- Molecular formula
- C13H20N4O3
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.15354051
Names & identifiers
- Preferred name
- N(alpha)-(N,N-Dimethylcarbamoyl)-alpha-azaornithine phenyl ester
- IUPAC
- phenyl N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate
- English name
- N(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine phenyl ester
- Molecular formula
- C13H20N4O3
- Molecular weight
- 280.32
Names & synonyms
Ndcaop142181-97-3N(alpha)-(N,N-Dimethylcarbamoyl)-alpha-azaornithine phenyl esterDTXSID80161961RefChem:160806DTXCID8084452SCHEMBL23375473Phenyl 1-(3-aminopropyl)-2-(dimethylcarbamoyl)hydrazine-1-carboxylateHydrazinecarboxylic acid, 1-(3-aminopropyl)-2-((dimethylamino)carbonyl)-, phenyl ester
Database identifiers
- CAS
142181-97-3- PubChem CID
- 3035722
- DTXSID
DTXSID80161961- Nikkaji
- J440.799G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Density
- 1.199 · 1.199±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.285 · 9.285±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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