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2-(Methylamino)pentan-1-ol (HCID 20072201)|Huagongshe
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Compound
2-(Methylamino)pentan-1-ol
HCID
20072201
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Basic information
Standard SMILES
CCCC(CO)NC
InChIKey
WCHNLWZGJQDTDD-UHFFFAOYSA-N
Molecular formula
C6H15NO
Average molar mass
117.19 g/mol
Monoisotopic mass
117.1153641
Names & identifiers
Preferred name
2-(Methylamino)pentan-1-ol
IUPAC
2-(methylamino)pentan-1-ol
Names & synonyms
SCHEMBL1057747
Database identifiers
PubChem CID
20072201
Properties
Computed structural properties
XLogP
0.4
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
47.8
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Related reactions
1 records
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As solvent
HRID
136801
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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