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Structure

Cyclopropanamine, 1-[3-(1,1-dimethylethyl)phenyl]-

CAS
900802-72-4
Catalog Number
ACM900802724
Category
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Specification

Synonyms
Cyclopropanamine, 1-[3-(1,1-dimethylethyl)phenyl]-
What is the IUPAC name of the compound?

1-(3-tert-butylphenyl)cyclopropan-1-amine.

What is the molecular formula of the compound?

C13H19N.

What is the molecular weight of the compound?

189.30 g/mol.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

CEPJQAFVPMIAJG-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

CC(C)(C)C1=CC=CC(=C1)C2(CC2)N.

What is the XLogP3-AA value of the compound?

2.8.

How many hydrogen bond donor counts does the compound have?

1.

How many hydrogen bond acceptor counts does the compound have?

1.

How many rotatable bond counts does the compound have?

2.

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