3,3',3''-Nitrilotris(propionohydrazide)

HCID 3045313

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Basic information

CAS: 91933-31-2
Standard SMILES: NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN
InChIKey: PMPWHLYNGLTUHI-UHFFFAOYSA-N
Molecular formula: C9H21N7O3
Average molar mass: 275.31 g/mol
Monoisotopic mass: 275.17058756

Names & identifiers

Preferred name: 3,3',3''-Nitrilotris(propionohydrazide)
IUPAC: 3-[bis(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
English name: 3,3',3''-nitrilotris(propionohydrazide)
Molecular formula: C9H21N7O3
Molecular weight: 275.30814

Names & synonyms

3,3',3''-Nitrilotris(propionohydrazide)91933-31-2EINECS 295-243-4SCHEMBL4413738DTXSID30238793PMPWHLYNGLTUHI-UHFFFAOYSA-N3,3',3''-NitrilotripropanehydrazideNS00039414N,N-Bis(3-hydrazino-3-oxopropyl)-β-alanine hydrazide

Database identifiers

CAS: 91933-31-2
PubChem CID: 3045313
DTXSID: DTXSID30238793
EC Number: 295-243-4
Nikkaji: J318.983J

Properties

Computed structural properties

XLogP: -4.2
Topological polar surface area: 169 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 263

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