N,2-Dihydroxypropanimidamide
Basic information
- CAS
52046-55-6- Standard SMILES
CC(O)/C(N)=N/O- InChIKey
TWQGERCRJDBWSY-UHFFFAOYSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Names & identifiers
- Preferred name
- N,2-Dihydroxypropanimidamide
- IUPAC
- N',2-dihydroxypropanimidamide
- English name
- 2,N-Dihydroxy-propionamidine
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
52046-55-6N,2-Dihydroxypropanimidamide(1Z)-N',2-dihydroxypropanimidamidepropanimidamide, N',2-dihydroxy-, (1Z)-(1E)-N',2-dihydroxypropanimidamide2,N-Dihydroxy-propionamidineSCHEMBL8231226DTXSID40966414ALBB-022327AKOS010958678AKOS022185587AT25222
Show more names
Propanimidamide, N,2-dihydroxy-(1E)-N,2-dihydroxypropanimidamide(Z)-N',2-dihydroxypropanimidamide
BS-37973EN300-216042
Database identifiers
- CAS
52046-55-6- PubChem CID
- 44537684
- DTXSID
DTXSID40966414- Nikkaji
- J2.797.843F
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81
Physicochemical properties
- Boiling point
- 212 · 212.0±42.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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