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Structure

Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol

CAS
95630-79-8
Catalog Number
ACM95630798
Category
Other Products
Molecular Weight
141.21
Molecular Formula
C8H15NO

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Specification

Synonyms
diendo-(3-Amino-bicyclo[2.2.1]hept-2-yl)-methanol, 95630-79-8, CTK8F9166, AKOS006283751, AB49842, AG-H-93228
IUPAC Name
[(1S,2S,3R,4R)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
Canonical SMILES
C1CC2CC1C(C2N)CO
InChI Key
QGMMKSUHQMVLRO-FKSUSPILSA-N
Boiling Point
241.024ºC at 760 mmHg
Flash Point
99.568ºC
Density
1.075g/cm³
Exact Mass
141.11500
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

The molecular formula is C8H15NO.

When was Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol created on PubChem?

It was created on November 9, 2006.

What is the molecular weight of Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

The molecular weight is 141.21 g/mol.

How many hydrogen bond donor counts are there in Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value for Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

The XLogP3-AA value is 0.8.

How many rotatable bond counts are there in Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

There is 1 rotatable bond count.

What is the topological polar surface area of Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

The topological polar surface area is 46.2 Ų.

How many defined atom stereocenter counts are there in Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

There are 4 defined atom stereocenter counts.

Is Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol the canonicalized compound?

Yes, it is the canonicalized compound.

How many covalently-bonded unit counts are there in Diendo-(3-amino-bicyclo[2.2.1]hept-2-yl)-methanol?

There is 1 covalently-bonded unit count.

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