Azacitidine Impurity 61

CAT: 1596-AR-A07727-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07727-02Size:25 Units

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

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CAS Number

178671-73-3

Molecular Formula

C3H6N4O2

Molecular Weight

130.11

API Name

Azacitidine

Chemical Information

N-(N-Carbamoylcarbamimidoyl)formamide

CAS Number	178671-73-3
PubChem CID	165358663
IUPAC Name	N-(N-carbamoylcarbamimidoyl)formamide
Molecular Formula	C3H6N4O2
Molecular Weight	130.11
XLogP	-0.4
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	143

SMILES

C(=O)NC(=N)NC(=O)N

InChI

InChI=1S/C3H6N4O2/c4-2(6-1-8)7-3(5)9/h1H,(H5,4,5,6,7,8,9)

InChIKey

PMGSUDGTDUFWCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 178671-73-3

CID: 165358663

Formula: C3H6N4O2

MW: 130.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.11
XLogP3	-0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.04907545
Monoisotopic Mass	130.04907545
Topological Polar Surface Area	108 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	143
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