CH4

3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL

Created:	2005-02-09
Last modified:	2024-09-27

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1 entries where CH4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of CH4

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Chemical Component Summary
Name	3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL
Systematic Name (OpenEye OEToolkits)	3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propanal
Formula	C₈ H₂₀ N₄ O
Molecular Weight	188.271
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CC(CNCCN)CNCCN
SMILES	CACTVS	3.341	NCCNCC(CNCCN)C=O
SMILES	OpenEye OEToolkits	1.5.0	C(CNCC(CNCCN)C=O)N
Canonical SMILES	CACTVS	3.341	NCCNCC(CNCCN)C=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CNCC(CNCCN)C=O)N
InChI	InChI	1.03	InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2
InChIKey	InChI	1.03	BIJUMIIQWOKWMO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5287926

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