Abemaciclib Impurity 69

CAT: 1299-RM-A305069-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305069-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

113293-71-3

Synonyms

(6-aminopyridin-3-yl) methanol

Molecular Formula

C6H8N2O

Molecular Weight

124.14

Target Alternative Name

Abemaciclib

Product Name Synonym

(6-aminopyridin-3-yl) methanol

Chemical Information

(6-Aminopyridin-3-yl)methanol

CAS Number	113293-71-3
PubChem CID	2794829
IUPAC Name	(6-amino-3-pyridinyl)methanol
Molecular Formula	C6H8N2O
Molecular Weight	124.14
XLogP	-0.2
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

C1=CC(=NC=C1CO)N

InChI

InChI=1S/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)

InChIKey

TXPRFSOGPYITOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113293-71-3

CID: 2794829

Formula: C6H8N2O

MW: 124.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.14
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	124.063662883
Monoisotopic Mass	124.063662883
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes