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Thermospermine

Thermospermine structure

CAS No:
70862-11-2
Formula:
C10H26N4
Chemical Name:
Thermospermine
Synonyms:
1,4-Butanediamine,N1-[3-[(3-aminopropyl)amino]propyl]-;1,4-Butanediamine,N-[3-[(3-aminopropyl)amino]propyl]-;N1-[3-[(3-Aminopropyl)amino]propyl]-1,4-butanediamine;Thermospermine
Categories:
Organic Chemistry > Amides

Description

ChEBI: 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 simi arity to spermine and the fact that it was first isolated from the extreme thermophile, Thermus thermophilus.

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 polyazaalkane and a tetramine. It is a conjugate base of a thermosperminium(4+).

Thermospermine Basic Attributes

Molecular Weight：

202.346

Exact Mass：

202.34

DSSTox ID：

DTXSID00221096

Characteristics

PSA：

76.1

XLogP3：

-1.1

Density：

0.925±0.06 g/cm3(Predicted)

Boiling Point：

330.9ºC at 760 mmHg

Flash Point：

180.3ºC

Refractive Index：

1.484

Drug Information

MeSH Entry Terms：

1,12-diamino-4,8-diazadodecane

Computed Properties

Molecular Weight:202.34
XLogP3:-1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:202.21574685
Monoisotopic Mass:202.21574685
Topological Polar Surface Area:76.1
Heavy Atom Count:14
Complexity:98.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes