Carbamic acid,N-(4-methyl-2-pyridinyl)-,1,1-dimethylethyl ester

Name: Carbamic acid,N-(4-methyl-2-pyridinyl)-,1,1-dimethylethyl ester
SKU: ACM90101205
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CAS

90101-20-5

Catalog Number

ACM90101205

Category

Other Products

Molecular Weight

208.26

Molecular Formula

C₁₁H₁₆N₂O₂

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Specification

Synonyms

90101-20-5, (4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester, Tert-butyl N-(4-methylpyridin-2-yl)carbamate, 2-Boc-amino-4-methylpyridine, TERT-BUTYL 4-METHYLPYRIDIN-2-YLCARBAMATE, AmbkkkkK140, SureCN828560, AC1Q2J32, CTK8E2496, MolPort-000-002-276, AB2749, ZINC06643318, AKOS015838244, AB42386, AG-H-68949, KB-87970, tert-Butyl (4-methylpyridin-2-yl)carbamate, FT-0678299, A-6698, B67374

IUPAC Name

tert-butyl N-(4-methylpyridin-2-yl)carbamate

Canonical SMILES

CC1=CC(=NC=C1)NC(=O)OC(C)(C)C

InChI Key

SABMAMDNSRZJBK-UHFFFAOYSA-N

Boiling Point

274.2ºC at 760mmHg

Flash Point

119.6ºC

Density

1.108g/cm³

Exact Mass

208.12100

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The molecular formula is C11H16N2O2.

What is the molecular weight of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The molecular weight is 208.26 g/mol.

What is the IUPAC name of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The IUPAC name is tert-butyl N-(4-methylpyridin-2-yl)carbamate.

What is the InChI of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The InChI is InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14).

What is the Canonical SMILES of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The Canonical SMILES is CC1=CC(=NC=C1)NC(=O)OC(C)(C)C.

What is the CAS number of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The CAS number is 90101-20-5.

What is the XLogP3-AA value of Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor counts does Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester have?

It has 1 hydrogen bond donor count.

How many rotatable bond counts does Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester have?

It has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.