Basic information
- CAS
90847-51-1- Standard SMILES
NCC(O)C(O)CO- InChIKey
WIFPJDJJFUSIFP-UHFFFAOYSA-N- Molecular formula
- C4H11NO3
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.07389321
Names & identifiers
- Preferred name
- 4-Aminobutane-1,2,3-triol
- IUPAC
- 4-aminobutane-1,2,3-triol
- English name
- 4-aminobutane-1,2,3-triol
- Molecular formula
- C4H11NO3
- Molecular weight
- 121.13504
Names & synonyms
4-Aminobutane-1,2,3-triol90847-51-1EINECS 292-681-8SCHEMBL121283SCHEMBL8625979DTXSID50920123WIFPJDJJFUSIFP-UHFFFAOYSA-NAKOS006347124NS00066233Reaxys ID: 53271234-Amino-1,2,3-butanetriol1,2,3-Butanetriol,4-amino-
Database identifiers
- CAS
90847-51-1- PubChem CID
- 3021735
- DTXSID
DTXSID50920123- EC Number
- 292-681-8
- Nikkaji
- J317.581B
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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