TER
N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
Created: | 1999-07-08 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE |
Synonyms | THERMOSPERMINE; PA(334) |
Systematic Name (OpenEye OEToolkits) | N-[3-(3-aminopropylamino)propyl]butane-1,4-diamine |
Formula | C10 H26 N4 |
Molecular Weight | 202.34 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N(CCCCN)CCCNCCCN |
SMILES | CACTVS | 3.341 | NCCCCNCCCNCCCN |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCNCCCNCCCN)CN |
Canonical SMILES | CACTVS | 3.341 | NCCCCNCCCNCCCN |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(CCNCCCNCCCN)CN |
InChI | InChI | 1.03 | InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2 |
InChIKey | InChI | 1.03 | DODDBCGMRAFLEB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 194365 |
ChEMBL | CHEMBL151993 |
ChEBI | CHEBI:59564 |