Remdesivir Impurity 3 HCl

CAT: 1596-AR-R10619-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10619-01Size:10 Units

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

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CAS Number

2096981-79-0

Molecular Formula

C9H19NO2. HCl

Molecular Weight

173.26 36.46

API Name

Remdesivir

Chemical Information

N-Boc-O-(4-cyanophenyl)-L-serine

CAS Number	2096981-79-0
PubChem CID	146013456
IUPAC Name	2-ethylbutyl (2R)-2-aminopropanoate;hydrochloride
Molecular Formula	C9H20ClNO2
Molecular Weight	209.71
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	132

SMILES

CCC(CC)COC(=O)[C@@H](C)N.Cl

InChI

InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m1./s1

InChIKey

DEAGOVGXNPHPIJ-OGFXRTJISA-N

Chemical Structure

2D Structure

CAS: 2096981-79-0

CID: 146013456

Formula: C9H20ClNO2

MW: 209.71

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	209.71
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	209.1182566
Monoisotopic Mass	209.1182566
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes