N8-Acetylspermidine
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N8-Acetylspermidine
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CAS No:
13431-24-8
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Formula:
C9H21N3O
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Chemical Name:
N8-Acetylspermidine
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Synonyms:
Acetamide,N-[4-[(3-aminopropyl)amino]butyl]-;N-[4-[(3-Aminopropyl)amino]butyl]acetamide;N8-Monoacetylspermidine;N8-Acetylspermidine
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CAS No:
Description
Solid
N(8)-acetylspermidine is an acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group. It has a role as a human metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(8)-acetylspermidinium(2+).
Characteristics
67.2 Ų
202-203°C
142.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.34 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:187.28
XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:187.168462302
Monoisotopic Mass:187.168462302
Topological Polar Surface Area:67.2
Heavy Atom Count:13
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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