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Structure

p-Phenylenediamine,N-2-propynyl-(7ci)

CAS
90557-35-0
Catalog Number
ACM90557350
Category
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What is the molecular formula of p-Phenylenediamine,N-2-propynyl-(7ci)?

The molecular formula is C9H10N2.

What is the molecular weight of p-Phenylenediamine,N-2-propynyl-(7ci)?

The molecular weight is 146.19 g/mol.

What is the IUPAC name of p-Phenylenediamine,N-2-propynyl-(7ci)?

The IUPAC name is 4-N-prop-2-ynylbenzene-1,4-diamine.

What is the InChI of p-Phenylenediamine,N-2-propynyl-(7ci)?

The InChI is InChI=1S/C9H10N2/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6,11H,7,10H2.

What is the InChIKey of p-Phenylenediamine,N-2-propynyl-(7ci)?

The InChIKey is BULPLEZIUAPBKW-UHFFFAOYSA-N.

What is the Canonical SMILES of p-Phenylenediamine,N-2-propynyl-(7ci)?

The Canonical SMILES is C#CCNC1=CC=C(C=C1)N.

How many hydrogen bond donor counts does p-Phenylenediamine,N-2-propynyl-(7ci) have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of p-Phenylenediamine,N-2-propynyl-(7ci)?

The topological polar surface area is 38 Ų.

How many rotatable bond counts does p-Phenylenediamine,N-2-propynyl-(7ci) have?

It has 2 rotatable bond counts.

Is p-Phenylenediamine,N-2-propynyl-(7ci) a canonicalized compound?

Yes, it is a canonicalized compound.

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