Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

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CAS
916420-29-6
Size
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Purity
96%
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Catalog Number

ACM916420296

Product Name

Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

Structure

Structure

CAS

916420-29-6

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE

IUPAC Name

ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

Molecular Weight

194.23036

Molecular Formula

C₁₀H₁₄N₂O₂

Canonical SMILES

CCOC(=O)C1=CC2=C(N1)CCNC2

InChI Key

DLTWHLZZIAFDGB-UHFFFAOYSA-N

Boiling Point

400.1ºC at 760 mmHg

Flash Point

195.8ºC

Density

1.177g/cm³

Exact Mass

194.10600

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The molecular formula is C10H14N2O2.

When was Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate created and last modified?

It was created on 2010-03-02 and last modified on 2023-12-30.

What is the IUPAC name of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.

What is the computed InChI of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)9-5-7-6-11-4-3-8(7)12-9/h5,11-12H,2-4,6H2,1H3.

What is the Canonical SMILES of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The Canonical SMILES is CCOC(=O)C1=CC2=C(N1)CCNC2.

What is the molecular weight of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The molecular weight is 194.23 g/mol.

How many hydrogen bond donor counts are there in Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

There are 2 hydrogen bond donor counts.

What is the exact mass of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

The exact mass is 194.105527694 g/mol.

How many rotatable bond counts are there in Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

There are 3 rotatable bond counts.

Is the compound canonicalized for Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?

Yes, the compound is canonicalized.

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