6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester

CAS
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CAS
928118-00-7
Size
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Purity
96%
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Catalog Number

ACM928118007

Product Name

6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester

Structure

Structure

CAS

928118-00-7

Category

Heterocyclic Organic Compound

Synonyms

928118-00-7, 6-AMINO-2,3-DIHYDRO-BENZO[1,4]OXAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER, SureCN2363147, AK-68632, KB-199011, tert-Butyl 6-amino-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate

IUPAC Name

tert-butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

Molecular Weight

250.29

Molecular Formula

C₁₃H₁₈N₂O₃

Canonical SMILES

CC(C)(C)OC(=O)N1CCOC2=C1C=C(C=C2)N

InChI Key

DFISCAMARWIZIY-UHFFFAOYSA-N

Exact Mass

250.13200

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The molecular formula is C13H18N2O3.

What is the molecular weight of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The molecular weight is 250.29 g/mol.

When was 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester created and modified?

It was created on October 30, 2011, and last modified on December 30, 2023.

What is the IUPAC name of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The IUPAC name is tert-butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate.

What is the InChI of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7,14H2,1-3H3.

What is the InChIKey of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The InChIKey is DFISCAMARWIZIY-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The canonical SMILES is CC(C)(C)OC(=O)N1CCOC2=C1C=C(C=C2)N.

What is the XLogP3-AA of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The XLogP3-AA is 1.7.

How many hydrogen bond donor and acceptor counts does 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester have?

It has 1 hydrogen bond donor and 4 hydrogen bond acceptor counts.

What is the heavy atom count of 6-Amino-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester?

The heavy atom count is 18.

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