Bdgj
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Basic information
- CAS
19343-23-8- Standard SMILES
CC(C)NCC(O)CNc1cccc2ccccc12- InChIKey
LEPJVGQNQBQHIQ-UHFFFAOYSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Overview
analog of propranolol replacing the side-chain oxygen with an NH group; structure
Names & identifiers
- Preferred name
- Bdgj
- IUPAC
- 1-(naphthalen-1-ylamino)-3-(propan-2-ylamino)propan-2-ol
- English name
- 1-(Isopropylamino)-3-(1-naphthylamino)-2-propanol
- Molecular formula
- C16H22N2O
- Molecular weight
- 258.36
Names & synonyms
BDGJ19343-23-81-Isopropylamino-3-(1-naphthylamino)-2-propanolRefChem:916778Propranolol Impurity 182-Propanol, 1-(isopropylamino)-3-(1-naphthylamino)-SCHEMBL29483737DTXSID60941026LEPJVGQNQBQHIQ-UHFFFAOYSA-N1-[(Naphthalen-1-yl)amino]-3-[(propan-2-yl)amino]propan-2-ol2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenylamino)-1-(Isopropylamino)-3-(1-naphthylamino)-2-propanol #
Show more names
1-(Isopropylamino)-3-(1-naphtylamino)-2-propanol1-(Isopropylamino)-3-(1-naphthylamino)-2-propanol
1-(ISOPROPYLAMINO)-3-(NAPHTHALEN-1-YLAMINO)PROPAN-2-OL
Database identifiers
- CAS
19343-23-8- PubChem CID
- 86853
- DTXSID
DTXSID60941026- Nikkaji
- J103.380H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 463.1 · 463.1±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.28 · 14.28±0.20(Predicted)
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Related reactions
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Compound notes
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