Carbamicacid,N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-,1,1-dimethylethyl ester

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CAS
900514-09-2
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Purity
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Catalog Number

ACM900514092

Product Name

Carbamicacid,N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-,1,1-dimethylethyl ester

Structure

CAS

900514-09-2

Category

Heterocyclic Organic Compound

Synonyms

(1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-carbamic acid tert-butyl ester, 900514-09-2, AC1Q1NE6, SureCN3346697, CTK8E2495, MolPort-005-957-037, AKOS015838158, AB48221, KB-75897, 5-(N-BOC-AMINOMETHYL)-7-AZAINDOLE, FT-0678321, A-6696, I04-3956, 5-(N-BOC-AMINOMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE, tert-butyl N-{1H-pyrrolo[2,3-b]pyridin-5-ylmethyl}carbamate, TERT-BUTYL (1H-PYRROLO[2,3-B]PYRIDIN-5-YL)METHYLCARBAMATE, CARBAMIC ACID, N-(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, Carbamic acid,N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-,1,1-dimethylethyl ester

IUPAC Name

tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)carbamate

Molecular Weight

247.29298

Molecular Formula

C₁₃H₁₇N₃O₂

Canonical SMILES

CC(C)(C)OC(=O)NCC1=CN=C2C(=C1)C=CN2

InChI Key

XIDJEMPYAHCGHE-UHFFFAOYSA-N

Density

1.198g/cm³

Exact Mass

247.13200

Hazard Statements

H-Bond Acceptor

H-Bond Donor

MSDS

Download MSDS

COA

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Spec Sheet

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What is the molecular formula of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The molecular formula is C13H17N3O2.

What are the synonyms for Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

Some synonyms include (1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-carbamic acid tert-butyl ester, and tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)carbamate.

When was Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester created and last modified?

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

What is the molecular weight of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The molecular weight is 247.29 g/mol.

What is the IUPAC name of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The IUPAC name is tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)carbamate.

What is the InChIKey of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The InChIKey is XIDJEMPYAHCGHE-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The topological polar surface area is 67?2.

Is Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester considered canonical?

Yes, it is considered canonical.

What is the exact mass of Carbamic acid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester?

The exact mass is 247.132076794 g/mol.

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