Basic information
- CAS
53442-56-1- Standard SMILES
O=c1[nH]nc(NCCCO)c2ccccc12- InChIKey
VUBRPJZEDRNOTH-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 1(2H)-Phthalazinone, 4-[(3-hydroxypropyl)amino]-
- IUPAC
- 4-(3-hydroxypropylamino)-2H-phthalazin-1-one
- English name
- 4-[(3-Hydroxypropyl)amino]-1(2H)-phthalazinone
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
53442-56-11(2H)-Phthalazinone, 4-[(3-hydroxypropyl)amino]-4-((3-Hydroxypropyl)amino)phthalazin-1(2H)-one4-[(3-Hydroxypropyl)amino]phthalazin-1(2H)-oneNSC2874664-[(3-Hydroxypropyl)amino]-1(2H)-phthalazinoneDTXSID20314691VUBRPJZEDRNOTH-UHFFFAOYSA-NNSC-287466DB-2949794-[(3-Hydroxypropyl)amino]-1-phthalazinol #
Database identifiers
- CAS
53442-56-1- PubChem CID
- 323973
- DTXSID
DTXSID20314691- Nikkaji
- J146.472H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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