1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol

Substructure search Find similar structures

Basic information

CAS: 4953-36-0
Standard SMILES: CCN(CC)CC(O)COc1cc([N+](=O)[O-])ccc1N1CCCC1
InChIKey: PSPJQQZDQZYLDC-UHFFFAOYSA-N
Molecular formula: C17H27N3O4
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.20015635

Names & identifiers

Preferred name: 1-(Diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol
IUPAC: 1-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol

Names & synonyms

4953-36-02-Propanol, 1-(diethylamino)-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-ST509937071-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-olCambridge id 5315181Oprea1_399037DTXSID603335231-(DIETHYLAMINO)-3-[5-NITRO-2-(PYRROLIDIN-1-YL)PHENOXY]PROPAN-2-OLAKOS001483560AKOS021983299AB00080324-01SR-01000390157

Show more names

SR-01000390157-13-(diethylamino)-1-(5-nitro-2-pyrrolidinylphenoxy)propan-2-ol1-(diethylamino)-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol1-(diethylamino)-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-2-propanol

Database identifiers

CAS: 4953-36-0
PubChem CID: 511399
DTXSID: DTXSID60333523

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 81.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 381

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…