Basic information
- CAS
52977-61-4- Standard SMILES
CN(CCC(=O)OC[C@H](N)C(=O)O)N=O- InChIKey
DHDBDHYZCMTTTE-YFKPBYRVSA-N- Molecular formula
- C7H13N3O5
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.08552052
Names & identifiers
- Preferred name
- Alanoser
- IUPAC
- (2S)-2-amino-3-[3-[methyl(nitroso)amino]propanoyloxy]propanoic acid
- English name
- O-(N-Nitroso-N-methyl-beta-alanyl)-L-serine
- Molecular formula
- C7H13N3O5
- Molecular weight
- 219.2
Names & synonyms
Alanoser52977-61-4DTXSID00201015RefChem:318025DTXCID00123506O-(N-Nitroso-N-methyl-beta-alanyl)-L-serineO-(N-Methyl-N-nitroso-beta-alanyl)-L-serineO-(N-Methyl-N-nitroso-beta-alanyl)-serine(2S)-2-amino-3-[3-[methyl(nitroso)amino]propanoyloxy]propanoic acidSerine, O-(N-methyl-N-nitroso-beta-alanyl)-, L-O-(N-methyl-N-nitroso-beta-Ala)-SerDB-327102
Show more names
O-(N-Methyl-N-nitroso-β-alanyl)-L-serineL-Serine, ester with N-methyl-N-nitroso-β-alanine (9CI)
O-{3-[Methyl(nitroso)amino]propanoyl}-L-serine
Database identifiers
- CAS
52977-61-4- PubChem CID
- 148602
- DTXSID
DTXSID00201015- Nikkaji
- J153.529C
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 360 °C · 360°C (rough estimate)
- Density
- 1.4104 · 1.4104 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- Toxicity
- 200 mg/disc · dnr-esc 200 mg/disc CNREA8 34,1658,74
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- dnr-esc 200 mg/disc CNREA8 34,1658,74
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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