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Structure

4-Thiazolemethanamine,N-methyl-2-(4-morpholinyl)-

CAS
915707-64-1
Catalog Number
ACM915707641
Category
Other Products
Molecular Weight
213.3
Molecular Formula
C9H15 N3 O S

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Specification

Synonyms
N-Methyl-1-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methylamine
IUPAC Name
N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
Canonical SMILES
CNCC1=CSC(=N1)N2CCOCC2
InChI Key
QOWGXNCFGPNQIL-UHFFFAOYSA-N
Boiling Point
347.6ºC at 760 mmHg
Flash Point
164ºC
Density
1.204g/cm³
Exact Mass
213.09400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24229700?

The molecular formula is C9H15N3OS.

When was the compound first created in PubChem?

The compound was first created in PubChem on February 29, 2008.

What is the IUPAC name of the compound?

The IUPAC name is N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CNCC1=CSC(=N1)N2CCOCC2.

What is the InChIKey of the compound?

The InChIKey is QOWGXNCFGPNQIL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 65.6?2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the molecular weight of the compound?

The molecular weight is 213.30 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.4.

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