Benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate

CAS

159275-17-9

Catalog Number

ACM159275179

Category

Bromine Series

Molecular Weight

312.2

Molecular Formula

C₁₄H₁₈BrNO₂

MSDS COA Spec Sheet

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Specification

Synonyms

BENZYL 4-(BROMOMETHYL)PIPERIDINE-1-CARBOXYLATE;BENZYL 4-(BROMOMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;BUTTPARK 95\50-67;N-(BENZYLOXYCARBONYL)-4-(BROMOMETHYL)PIPERIDINE;Benzyl 4-(bromoethyl)tetrahydro-1(2H)-pyridinecarboxylate;4-(Bromomethyl)piperidin

IUPAC Name

phenylmethyl 4-(bromomethyl)piperidine-1-carboxylate

Canonical SMILES

C1CN(CCC1CBr)C(=O)OCC2=CC=CC=C2

InChI Key

XJHKDSZGAWXUTB-UHFFFAOYSA-N

Boiling Point

403.4ºC at 760mmHg

Melting Point

68ºC

Flash Point

197.8ºC

Density

1.356g/cm³

Exact Mass

311.05200

Hazard Statements

Xi: Irritant;C: Corrosive;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

What is the molecular formula of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The molecular formula of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is C14H18BrNO2.

What is the molecular weight of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The molecular weight of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is 312.20 g/mol.

What are some synonyms for benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

Some synonyms for benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate include Benzyl 4-(bromomethyl)piperidine-1-carboxylate and 1-Cbz-4-(Bromomethyl)piperidine.

What is the InChIKey of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The InChIKey of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is XJHKDSZGAWXUTB-UHFFFAOYSA-N.

What is the canonical SMILES representation of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The canonical SMILES representation of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is C1CN(CCC1CBr)C(=O)OCC2=CC=CC=C2.

How many hydrogen bond acceptors are there in benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

There are 2 hydrogen bond acceptors in benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate.

What is the exact mass of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The exact mass of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is 311.05209 g/mol.

How many rotatable bonds are there in benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

There are 4 rotatable bonds in benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate.

What is the topological polar surface area of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate?

The topological polar surface area of benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is 29.5Å².

Is benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate a canonicalized compound?

Yes, benzyl 4-(bromomethyl)tetrahydro-1(2H)pyridinecarboxylate is a canonicalized compound.