Alaninal
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Basic information
- CAS
4744-12-1- Standard SMILES
CC(N)C=O- InChIKey
QPMCUNAXNMSGTK-UHFFFAOYSA-N- Molecular formula
- C3H7NO
- Average molar mass
- 73.09 g/mol
- Monoisotopic mass
- 73.05276385
Names & identifiers
- Preferred name
- Alaninal
- IUPAC
- 2-aminopropanal
- English name
- alaninal
- Molecular formula
- C3H7NO
- Molecular weight
- 73.09
Names & synonyms
AlaninalPropanal, 2-amino-4744-12-1Alanine aldehydeRefChem:1104822-aminopropanalaminopropanal2-methyl-aminoacetaldehydeSCHEMBL209652SCHEMBL209653SCHEMBL997674orb1986588
Show more names
Propanal, 2-amino- (9CI)
SCHEMBL1403086SCHEMBL5502624SCHEMBL7807184SCHEMBL11218833DTXSID40963842QPMCUNAXNMSGTK-UHFFFAOYSA-NAKOS015995338FA111762
Database identifiers
- CAS
4744-12-1- PubChem CID
- 188982
- DTXSID
DTXSID40963842- Nikkaji
- J464.891I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 35
Physicochemical properties
- Boiling point
- 102.3 · 102.3±23.0 °C(Predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- pka
- 8.2 · 8.20±0.29(Predicted)
Related reactions
5 records
Compound notes
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