5-[(Dimethylamino)methyl]-1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-3-ol

HCID 80924628

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Basic information

CAS: 1501305-12-9
Standard SMILES: CN(C)CC1CC(O)CN1c1cc(NN)cc([N+](=O)[O-])c1
InChIKey: SNHDZXZMEPYKEJ-UHFFFAOYSA-N
Molecular formula: C13H21N5O3
Average molar mass: 295.34 g/mol
Monoisotopic mass: 295.16443955

Names & identifiers

Preferred name: 5-[(Dimethylamino)methyl]-1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-3-ol
IUPAC: 5-[(dimethylamino)methyl]-1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-3-ol

Names & synonyms

DTXSID101148288AKOS0194934373-Pyrrolidinol, 5-[(dimethylamino)methyl]-1-(3-hydrazinyl-5-nitrophenyl)-5-[(Dimethylamino)methyl]-1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-3-ol1501305-12-9

Database identifiers

CAS: 1501305-12-9
PubChem CID: 80924628
DTXSID: DTXSID101148288

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 111 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 362

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