2-(2-(1-Hydroxymethyl-2-methyl-propylamino)-ethylamino)-3-methyl-butan-1-OL
Basic information
- CAS
88619-15-2- Standard SMILES
CC(C)C(CO)NCCNC(CO)C(C)C- InChIKey
FCMJYBODSAOANO-UHFFFAOYSA-N- Molecular formula
- C12H28N2O2
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.21507814
Names & identifiers
- Preferred name
- 2-(2-(1-Hydroxymethyl-2-methyl-propylamino)-ethylamino)-3-methyl-butan-1-OL
- IUPAC
- 2-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]ethylamino]-3-methylbutan-1-ol
- English name
- 2-(2-(1-Hydroxymethyl-2-methyl-propylamino)-ethylamino)-3-methyl-butan-1-ol
- Molecular formula
- C12H28N2O2
- Molecular weight
- 232.36
Names & synonyms
2-[2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]ethylamino]-3-methyl-butan-1-olSCHEMBL9949236AKOS0243431501-Butanol, 2,2'-[1,2-ethanediylbis(imino)]bis[3-methyl-2-(2-(1-HYDROXYMETHYL-2-METHYL-PROPYLAMINO)-ETHYLAMINO)-3-METHYL-BUTAN-1-OL1-Butanol, 2,2′-(ethylenediimino)bis[3-methyl-
Database identifiers
- CAS
88619-15-2- PubChem CID
- 469991
- EC Number
- 159-562-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 362.82 · 362.820±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.965 · 0.965±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.387 · 14.387±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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