1,3-Propanediol, 2-((2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl)amino)-2-methyl-
Basic information
- CAS
38339-19-4- Standard SMILES
CC(CO)(CO)NCC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
KZEHRULXJCHZIT-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O3
- Average molar mass
- 309.19 g/mol
- Monoisotopic mass
- 308.0694478
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl)amino)-2-methyl-
- IUPAC
- 2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropane-1,3-diol
Names & synonyms
BRN 286436438339-19-42-((2-(4-Amino-3,5-dichlorophenyl)-2-hydroxyethyl)amino)-2-methyl-1,3-propanediol1,3-Propanediol, 2-((2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl)amino)-2-methyl-RefChem:2195632-{[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino}-2-methylpropane-1,3-diolSCHEMBL4721162DTXSID10959272
Database identifiers
- CAS
38339-19-4- PubChem CID
- 217253
- DTXSID
DTXSID10959272
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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