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Benzenemethanamine,N-methyl-3-[(6-methyl-2-pyrazinyl)oxy]-

CAS
912569-66-5
Catalog Number
ACM912569665
Category
Other Products
Molecular Weight
229.28
Molecular Formula
C13H15N3O
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Specification

Synonyms
N-Methyl-3-[(6-methylpyrazin-2-yl)oxy]benzylamine, 912569-66-5, SureCN2456498, CTK5G9137, MolPort-000-143-965, SBB097468, AG-H-74342, CC62646, KB-258978, I01-19510, methyl{[3-(6-methylpyrazin-2-yloxy)phenyl]methyl}amine, methyl({3-[(6-methylpyrazin-2-yl)oxy]phenyl}methyl)amine
IUPAC Name
N-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
Canonical SMILES
CC1=CN=CC(=N1)OC2=CC=CC(=C2)CNC
InChI Key
RCWJJFNDMQYPQK-UHFFFAOYSA-N
Boiling Point
346.4ºC at 760 mmHg
Flash Point
163.3ºC
Density
1.121g/cm³
Exact Mass
229.12200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24229685?

The molecular formula is C13H15N3O.

When was the compound first created in PubChem?

The compound was first created on February 29, 2008.

What is the molecular weight of the compound?

The molecular weight is 229.28 g/mol.

How is the IUPAC name of the compound computed?

The IUPAC name is computed using LexiChem 2.6.6.

What is the InChIKey of the compound?

The InChIKey is RCWJJFNDMQYPQK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CN=CC(=N1)OC2=CC=CC(=C2)CNC.

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 47.2.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

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