Structure

Hypaphorine hcl

CAS
20671-76-5
Catalog Number
ACM20671765
Category
Main Products
Molecular Weight
282.77
Molecular Formula
C14H19ClN2O2

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Specification

Synonyms
HYPAPHORINE HCL
IUPAC Name
[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium;chloride
Canonical SMILES
C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)O.[Cl-]
InChI Key
NZXZRRFENSICAK-ZOWNYOTGSA-N
Exact Mass
282.11400
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of Hypaphorine HCl?

The molecular formula of Hypaphorine HCl is C14H19ClN2O2.

What is the molecular weight of Hypaphorine HCl?

The molecular weight of Hypaphorine HCl is 282.76 g/mol.

What is the IUPAC name of Hypaphorine HCl?

The IUPAC name of Hypaphorine HCl is 3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate;hydrochloride.

What is the InChI of Hypaphorine HCl?

The InChI of Hypaphorine HCl is InChI=1S/C14H18N2O2.ClH/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12;/h4-7,9,13,15H,8H2,1-3H3;1H.

What is the InChIKey of Hypaphorine HCl?

The InChIKey of Hypaphorine HCl is NZXZRRFENSICAK-UHFFFAOYSA-N.

What is the canonical SMILES of Hypaphorine HCl?

The canonical SMILES of Hypaphorine HCl is C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-].Cl.

How many hydrogen bond donors does Hypaphorine HCl have?

Hypaphorine HCl has 2 hydrogen bond donors.

How many rotatable bond counts does Hypaphorine HCl have?

Hypaphorine HCl has 3 rotatable bond counts.

What is the topological polar surface area of Hypaphorine HCl?

The topological polar surface area of Hypaphorine HCl is 55.9Ų.

Is Hypaphorine HCl a canonicalized compound?

Yes, Hypaphorine HCl is a canonicalized compound.

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