(2-Prop-2-ynylcycloheptyl)carbamate

CAS

91340-01-1

Catalog Number

ACM91340011

Category

Other Products

Molecular Weight

195.258 g/mol

Molecular Formula

C₁₁H₁₇NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

1-(2-Propynyl)cycloheptanol carbamate, CID56216, BRN 3260439, Cycloheptanol, 1-(2-propynyl)-, carbamate, 1-(2-Propynyl)cycloheptyl ester of carbamic acid, LS-50620, 4-06-00-00370 (Beilstein Handbook Reference), CARBAMIC ACID, 1-(2-PROPYNYL)CYCLOHEPTYL ESTER, 91340-01-1

IUPAC Name

(2-prop-2-ynylcycloheptyl) carbamate

InChI Key

TVICDZNAJKDBNJ-UHFFFAOYSA-N

Boiling Point

327.6ºC at 760mmHg

Flash Point

145.9ºC

Density

1.05g/cm³

Exact Mass

195.12600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of (2-Prop-2-ynylcycloheptyl)carbamate?

The molecular formula of (2-Prop-2-ynylcycloheptyl)carbamate is C11H17NO2.

What is the molecular weight of (2-Prop-2-ynylcycloheptyl)carbamate?

The molecular weight of (2-Prop-2-ynylcycloheptyl)carbamate is 195.26 g/mol.

When was (2-Prop-2-ynylcycloheptyl)carbamate created in PubChem?

(2-Prop-2-ynylcycloheptyl)carbamate was created in PubChem on December 12, 2007.

What is the IUPAC name of (2-Prop-2-ynylcycloheptyl)carbamate?

The IUPAC name of (2-Prop-2-ynylcycloheptyl)carbamate is (1-prop-2-ynylcycloheptyl)carbamate.

What is the Canonical SMILES for (2-Prop-2-ynylcycloheptyl)carbamate?

The Canonical SMILES for (2-Prop-2-ynylcycloheptyl)carbamate is C#CCC1(CCCCCC1)OC(=O)N.

How many hydrogen bond acceptor counts does (2-Prop-2-ynylcycloheptyl)carbamate have?

(2-Prop-2-ynylcycloheptyl)carbamate has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of (2-Prop-2-ynylcycloheptyl)carbamate?

The topological polar surface area of (2-Prop-2-ynylcycloheptyl)carbamate is 52.3Å².

How many rotatable bond counts does (2-Prop-2-ynylcycloheptyl)carbamate have?

(2-Prop-2-ynylcycloheptyl)carbamate has 3 rotatable bond counts.

Is (2-Prop-2-ynylcycloheptyl)carbamate considered as the canonicalized compound in PubChem?

Yes, (2-Prop-2-ynylcycloheptyl)carbamate is considered as the canonicalized compound in PubChem.

What is the InChIKey of (2-Prop-2-ynylcycloheptyl)carbamate?

The InChIKey of (2-Prop-2-ynylcycloheptyl)carbamate is MLNSMPDCOUPQCA-UHFFFAOYSA-N.