3,3'-((2-((2-Hydroxyethyl)(3-hydroxypropyl)amino)ethyl)imino)dipropanol

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Basic information

CAS: 5417-05-0
Standard SMILES: OCCCN(CCO)CCN(CCCO)CCCO
InChIKey: NNZHIHXNIKLVHS-UHFFFAOYSA-N
Molecular formula: C13H30N2O4
Average molar mass: 278.39 g/mol
Monoisotopic mass: 278.22055744

Names & identifiers

Preferred name: 3,3'-((2-((2-Hydroxyethyl)(3-hydroxypropyl)amino)ethyl)imino)dipropanol
IUPAC: 3-[2-[2-hydroxyethyl(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
English name: 3,3'-[[2-[(2-hydroxyethyl)(3-hydroxypropyl)amino]ethyl]imino]dipropanol
Molecular formula: C13H30N2O4
Molecular weight: 278.3883

Names & synonyms

5417-05-03,3'-((2-((2-Hydroxyethyl)(3-hydroxypropyl)amino)ethyl)imino)dipropanolCG29V43MZQNSC 7348NSC-7348EINECS 226-514-7UNII-CG29V43MZQDTXSID702025141-Propanol, 3,3'-((2-((2-hydroxyethyl)(3-hydroxypropyl)amino)ethyl)imino)bis-3,3'-[[2-[(2-HYDROXYETHYL)(3-HYDROXYPROPYL)AMINO]ETHYL]IMINO]DIPROPANOL1-PROPANOL, 3,3'-((2-((2-HYDROXYETHYL)(3-HYDROXYPROPYL)AMINO)ETHYL)IMINO)DI-1-Propanol, 3,3'-[[2-[(2-hydroxyethyl)(3-hydroxypropyl)amino]ethyl]imino]bis-

Show more names

3-[2-(bis(3-hydroxypropyl)amino)ethyl-(2-hydroxyethyl)amino]propan-1-ol3,3'-[[2-[(2-Hydroxyethyl)(3-hydroxypropyl)amino]ethyl]imino]bis(1-propanol)1-Propanol, 3,3'-[[2-[(2-hydroxyethyl)(3-hydroxypropyl)amino]ethyl]imino]bis- (9CI)

RefChem:90647DTXCID00125005226-514-7NSC73483-[2-[2-hydroxyethyl(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-olSCHEMBL8678992NNZHIHXNIKLVHS-UHFFFAOYSA-NNS00032986

Database identifiers

CAS: 5417-05-0
PubChem CID: 79444
DTXSID: DTXSID70202514
UNII: CG29V43MZQ
EC Number: 226-514-7
Nikkaji: J217.989J

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 19
Formal charge: 0
Complexity: 176

Physicochemical properties

FDA UNII: 29 V43MZQ · CG29V43MZQ

Related reactions

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Compound notes

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