1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]-

CAS

93804-36-5

Catalog Number

ACM93804365

Category

Other Products

Molecular Weight

301.51436

Molecular Formula

C₁₆H₃₉N₅

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 298-412-0, CID3022429, 93804-36-5, N-(3-(Dimethylamino)propyl)-N-(3-((3-(dimethylamino)propyl)amino)propyl)propane-1,3-diamine

IUPAC Name

N-[3-(dimethylamino)propyl]-N-[3-[3-(dimethylamino)propylamino]propyl]propane-1,3-diamine

Canonical SMILES

CN(C)CCCNCCCNCCCNCCCN(C)C

InChI Key

JSLHZPPSKXAHBR-UHFFFAOYSA-N

Boiling Point

394.9ºC at 760mmHg

Flash Point

176.9ºC

Density

0.903g/cm³

EC Number

298-412-0

Exact Mass

301.32100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The molecular formula is C16H39N5.

When was the structure of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl] created and last modified?

The structure was created on August 8, 2005, and last modified on December 30, 2023.

What is the molecular weight of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The molecular weight is 301.51 g/mol.

What is the IUPAC name of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The IUPAC name is N'-[3-(dimethylamino)propyl]-N-[3-[3-(dimethylamino)propylamino]propyl]propane-1,3-diamine.

What is the InChIKey of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The InChIKey is JSLHZPPSKXAHBR-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl] have?

It has 3 hydrogen bond donor counts.

What is the topological polar surface area of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The topological polar surface area is 42.6 Å².

Is 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl] considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

What is the XLogP3-AA value of 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl]?

The XLogP3-AA value is 0.4.

How many rotatable bond counts does 1,3-Propanediamine,n1-[3-(dimethylamino)propyl]-n3-[3-[[3-(dimethylamino)propyl]amino]propyl] have?

It has 16 rotatable bond counts.

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