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1-(2,2-Dimethyl-1-phenylcyclopropyl)-N-methylmethanamine

Catalog Number
ACMA00001065
Category
Amines
Molecular Weight
189.30
Molecular Formula
C13H17NO3S

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Specification

Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula is C13H19N.

What is the molecular weight of the compound?

The molecular weight is 189.30 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(2,2-dimethyl-1-phenylcyclopropyl)-N-methylmethanamine.

What is the InChI code of the compound?

The InChI code is InChI=1S/C13H19N/c1-12(2)9-13(12,10-14-3)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.

What is the InChIKey of the compound?

The InChIKey is ZLYQUZYIAHGRFO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1(CC1(CNC)C2=CC=CC=C2)C.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 1 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 3 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area is 12Ų.

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