5-Octadecylpyrimidine-2,4,6-triamine

CAS

94087-81-7

Catalog Number

ACM94087817

Category

Other Products

Molecular Weight

377.610320 [g/mol]

Molecular Formula

C₂₂H₄₃N₅

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

EINECS 301-975-8, 5-Octadecylpyrimidine-2,4,6-triamine, CID3023451, 94087-81-7

IUPAC Name

5-octadecylpyrimidine-2,4,6-triamine

Canonical SMILES

CCCCCCCCCCCCCCCCCCC1=C(N=C(N=C1N)N)N

InChI Key

KVTOOFXLYHKXCK-UHFFFAOYSA-N

Boiling Point

577.4ºC at 760mmHg

Flash Point

338ºC

Density

0.994g/cm³

EC Number

301-975-8

Exact Mass

377.35200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Octadecylpyrimidine-2,4,6-triamine?

The molecular formula is C22H43N5.

When was 5-Octadecylpyrimidine-2,4,6-triamine created and modified in PubChem?

It was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC Name of 5-Octadecylpyrimidine-2,4,6-triamine?

The IUPAC Name is 5-octadecylpyrimidine-2,4,6-triamine.

What is the InChIKey of 5-Octadecylpyrimidine-2,4,6-triamine?

The InChIKey is KVTOOFXLYHKXCK-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5-Octadecylpyrimidine-2,4,6-triamine have?

It has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of 5-Octadecylpyrimidine-2,4,6-triamine?

The XLogP3-AA value is 8.6.

How many rotatable bond counts does 5-Octadecylpyrimidine-2,4,6-triamine have?

It has 17 rotatable bond counts.

What is the topological polar surface area of 5-Octadecylpyrimidine-2,4,6-triamine?

The topological polar surface area is 104?2.

Does 5-Octadecylpyrimidine-2,4,6-triamine have any defined atom stereocenter counts?

No, it has 0 defined atom stereocenter counts.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

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