Azacitidine Impurity 41

CAT: 1596-AR-A07715-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07715-02Size:25 Units

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

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CAS Number

109-58-0

Molecular Formula

C3H8N2O2

Molecular Weight

104.11

API Name

Azacitidine

Chemical Information

(2-Aminoethyl)carbamic acid

CAS Number	109-58-0
PubChem CID	32412
IUPAC Name	2-aminoethylcarbamic acid
Molecular Formula	C3H8N2O2
Molecular Weight	104.11
XLogP	-3.6
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	64

SMILES

C(CNC(=O)O)N

InChI

InChI=1S/C3H8N2O2/c4-1-2-5-3(6)7/h5H,1-2,4H2,(H,6,7)

InChIKey

RLRHPCKWSXWKBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-58-0

CID: 32412

Formula: C3H8N2O2

MW: 104.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.11
XLogP3	-3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	104.058577502
Monoisotopic Mass	104.058577502
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64
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