Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)-

CAS
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CAS
915707-40-3
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Purity
96%
Price
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Catalog Number

ACM915707403

Product Name

Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)-

Structure

Structure

CAS

915707-40-3

Category

Heterocyclic Organic Compound

Synonyms

4-(1-Methyl-1H-pyrazol-3-yl)benzylamine, 915707-40-3, SureCN109785, CTK5G9823, MolPort-000-142-705, SBB090615, AKOS006343978, AG-H-75798, CC23813, RP03524, KB-237183, Y4684, [4-(1-methylpyrazol-3-yl)phenyl]methanamine, [4-(1-methylpyrazol-3-yl)phenyl]methylamine, 3-[4-(Aminomethyl)phenyl]-1-methyl-1H-pyrazole

IUPAC Name

[4-(1-methylpyrazol-3-yl)phenyl]methanamine

Molecular Weight

187.24

Molecular Formula

C₁₁H₁₃N₃

Canonical SMILES

CN1C=CC(=N1)C2=CC=C(C=C2)CN

InChI Key

ABWRSDPFKICMIH-UHFFFAOYSA-N

Boiling Point

346.6ºC at 760 mmHg

Flash Point

163.4ºC

Density

1.14g/cm³

Exact Mass

187.11100

H-Bond Acceptor

2

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The molecular formula is C11H13N3.

When was Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl) created and last modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The IUPAC name is [4-(1-methylpyrazol-3-yl)phenyl]methanamine.

What is the InChI of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The InChI is InChI=1S/C11H13N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3.

What is the molecular weight of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The molecular weight is 187.24 g/mol.

What is the Canonical SMILES of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The Canonical SMILES is CN1C=CC(=N1)C2=CC=C(C=C2)CN.

How many hydrogen bond donor counts does Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl) have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The XLogP3-AA value is 0.8.

What is the topological polar surface area of Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl)?

The topological polar surface area is 43.8 Å².

Is Benzenemethanamine,4-(1-methyl-1H-pyrazol-3-yl) a canonicalized compound?

Yes, it is a canonicalized compound.

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