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Thermospermine

CAT: 1596-AR-S01850-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01850-02Size:25 Units
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CAS Number
70862-11-2
Synonyms
N1- (3- ((3-aminopropyl) amino) propyl) butane-1,4-diamine; N-[3-[ (3-Aminopropyl) amino]propyl]-1,4-butanediamine Tetrahydrochloride; N1-[3-[ (3-aminopropyl) amino]propyl]-1,4-butanediamine Tetrahydrochloride
Molecular Formula
C10H26N4
Molecular Weight
202.35
API Name
Spermine

Chemical Information

Thermospermine

Thermospermine is propane-1,3-diamine in which a hydrogen attached to one nitrogen is substituted by a 3-aminoprop-1-yl group, and a hydrogen attached to the other nitrogen is substituted by a 4-aminobut-1-yl group. A polyamine natural product, its name arises from its similarity to spermine and the fact that it was first isolated from the extreme thermophile, Thermus thermophilus. It is a tetramine and a polyazaalkane. It is a conjugate base of a thermosperminium(4+).

CAS Number70862-11-2
PubChem CID194365
IUPAC NameN'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine
Molecular FormulaC10H26N4
Molecular Weight202.34
XLogP-1.1
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity98
SMILES
C(CCNCCCNCCCN)CN
InChI
InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKey
DODDBCGMRAFLEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thermospermine
CAS: 70862-11-2
CID: 194365
Formula: C10H26N4
MW: 202.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.34
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass202.21574685
Monoisotopic Mass202.21574685
Topological Polar Surface Area76.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity98.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M28523-01Thermospermine
HY-151224RThermospermine (Standard)
VCA86211-01Thermospermine tetrahydrochloride
166795Thermospermine Hydrochloride discontinued
MBS1389421-01Recombinant Arabidopsis thaliana Thermospermine synthase ACAULIS5 (ACL5)

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