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3-Phenyl-3,9-diazaspiro[5.5]undecane

CAS
959490-93-8
Catalog Number
ACM959490938
Category
Other Products
Molecular Weight
230.348580 [g/mol]
Molecular Formula
C15H22N2

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Specification

Synonyms
3-phenyl-3,9-diazaspiro[5.5]undecane, 959490-93-8, NCGC00010033, AC1MM3D9, PCOP-12713, RL06071, 9-phenyl-3,9-diazaspiro[5.5]undecane, AK131973, KB-33132
IUPAC Name
3-phenyl-3,9-diazaspiro[5.5]undecane
Canonical SMILES
C1CNCCC12CCN(CC2)C3=CC=CC=C3
InChI Key
VNSLUHSUGLVNQB-UHFFFAOYSA-N
Exact Mass
230.17800
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 3-phenyl-3,9-diazaspiro[5.5]undecane?

The molecular formula is C15H22N2.

When was 3-phenyl-3,9-diazaspiro[5.5]undecane created according to PubChem?

It was created on 2005-08-15.

What is the computed IUPAC name of 3-phenyl-3,9-diazaspiro[5.5]undecane?

The computed IUPAC name is 3-phenyl-3,9-diazaspiro[5.5]undecane.

What is the Canonical SMILES for 3-phenyl-3,9-diazaspiro[5.5]undecane?

The Canonical SMILES is C1CNCCC12CCN(CC2)C3=CC=CC=C3.

What is the molecular weight of 3-phenyl-3,9-diazaspiro[5.5]undecane?

The molecular weight is 230.35 g/mol.

What is the InChIKey of 3-phenyl-3,9-diazaspiro[5.5]undecane?

The InChIKey is VNSLUHSUGLVNQB-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-phenyl-3,9-diazaspiro[5.5]undecane have?

It has 1 hydrogen bond donor count.

What is the XLogP3 value for 3-phenyl-3,9-diazaspiro[5.5]undecane?

The XLogP3 value is 3.7.

How many topological polar surface area units does 3-phenyl-3,9-diazaspiro[5.5]undecane have?

The topological polar surface area is 15.3 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

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