Basic information
- CAS
89911-79-5- Standard SMILES
CC(O)CN(CC(O)CO)N=O- InChIKey
FKZLAQOTFPPENP-UHFFFAOYSA-N- Molecular formula
- C6H14N2O4
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.09535693
Names & identifiers
- Preferred name
- N-Nitroso-2,3-dihydroxypropyl-2-hydroxypropylamine
- IUPAC
- N-(2,3-dihydroxypropyl)-N-(2-hydroxypropyl)nitrous amide
Names & synonyms
N-Nitroso-2,3-dihydroxypropyl-2-hydroxypropylamineNitrosotrihydroxy-dipropylamineCCRIS 2017UNII-RDB32X4S4HRDB32X4S4H3-((2-Hydroxypropyl)nitrosoamino)-1,2-propanediolN-Nitroso(2,3-dihydroxypropyl)(2-hydroxypropyl)amine1,2-Propanediol, 3-((2-hydroxypropyl)nitrosoamino)-DTXSID50209903-[(2-Hydroxypropyl)nitrosoamino]-1,2-propanediolRefChem:163952DTXCID70990
Show more names
89911-79-53-[(2-hydroxypropyl)(nitroso)amino]propane-1,2-diolSCHEMBL29362096N-(2,3-dihydroxypropyl)-N-(2-hydroxypropyl)nitrous amidenitroso-2,3-dihydroxypropyl-2-hydroxypropylamineQ27288065
Database identifiers
- CAS
89911-79-5- PubChem CID
- 150285
- DTXSID
DTXSID5020990- UNII
- RDB32X4S4H
- Nikkaji
- J64.310F
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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