Basic information
- CAS
77124-27-7- Standard SMILES
CC(N)CCCC(C)(C)O.NCC(O)c1cccc(O)c1- InChIKey
XBPOYGMKODMRSU-UHFFFAOYSA-N- Molecular formula
- C16H30N2O3
- Average molar mass
- 298.42 g/mol
- Monoisotopic mass
- 298.22564282
Names & identifiers
- Preferred name
- Bayrotren
- IUPAC
- 3-(2-amino-1-hydroxyethyl)phenol;6-amino-2-methylheptan-2-ol
Names & synonyms
Bayrotren77124-27-7RefChem:916767Bay e 1313DTXSID009983773-(2-amino-1-hydroxyethyl)phenol;6-amino-2-methylheptan-2-ol3-(2-Amino-1-hydroxyethyl)phenol--6-amino-2-methylheptan-2-ol (1/1)Benzenemethanol, alpha-(aminomethyl)-3-hydroxy-, mixt. with 6-amino-2-methyl-2-heptanol
Database identifiers
- CAS
77124-27-7- PubChem CID
- 192099
- DTXSID
DTXSID00998377
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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