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Caldopentamine

Caldopentamine structure

CAS No:
13274-42-5
Formula:
C12H31N5
Chemical Name:
Caldopentamine
Synonyms:
1,3-Propanediamine,N1-(3-aminopropyl)-N3-[3-[(3-aminopropyl)amino]propyl]-;Dipropylamine,3,3′-bis[(3-aminopropyl)amino]-;1,3-Propanediamine,N-(3-aminopropyl)-N′-[3-[(3-aminopropyl)amino]propyl]-;N1-(3-Aminopropyl)-N3-[3-[(3-aminopropyl)amino]propyl]-1,3-propanediamine;4,8,12-Triazapentadecane-1,15-diamine;Tetratrimethylenepentamine;Tetrapropylenepentamine;Caldopentamine;N-(3-Aminopropyl)-N′-[3-[(3-aminopropyl)amino]propyl]propane-1,3-diamine
Categories:
Organic Chemistry > Amides

Description

Caldopentamine is a polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane. It has a role as a marine metabolite. It is a polyazaalkane, a primary amino compound and a secondary amino compound. It is a conjugate base of a caldopentamine(4+).

Caldopentamine Basic Attributes

Molecular Weight：

245.40800

Exact Mass：

245.41

EC Number：

236-272-4

DSSTox ID：

DTXSID1065392

HScode：

2921290000

Characteristics

PSA：

88.13000

XLogP3：

1.80630

Melting Point：

125-130 °C

Boiling Point：

125-130 °C @ Press: 0.07 Torr

Vapor Pressure：

3.26E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

1,15-diamino-4,8,12-triazapentadecane

Caldopentamine Use and Manufacturing

Manufacturing Info：

1,3-Propanediamine, N1-(3-aminopropyl)-N3-[3-[(3-aminopropyl)amino]propyl]-: ACTIVE

Computed Properties

Molecular Weight:245.41
XLogP3:-1.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:14
Exact Mass:245.25794601
Monoisotopic Mass:245.25794601
Topological Polar Surface Area:88.1
Heavy Atom Count:17
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes