Ethimidine

CAT: 0013-GTR19197664-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197664-03Size:100 mg

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Description

Ethimidine

CAS Number

2482-80-6

Smiles

ClC1=CC (=NC (=N1) N2CC2) N3CC3

Molecular Formula

C8H9ClN4

Molecular Weight

196.64

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ethymidine

structure

CAS Number	2482-80-6
PubChem CID	96014
IUPAC Name	2,4-bis(aziridin-1-yl)-6-chloropyrimidine
Molecular Formula	C8H9ClN4
Molecular Weight	196.64
XLogP	1.6
Topological Polar Surface Area	31.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

C1CN1C2=CC(=NC(=N2)N3CC3)Cl

InChI

InChI=1S/C8H9ClN4/c9-6-5-7(12-1-2-12)11-8(10-6)13-3-4-13/h5H,1-4H2

InChIKey

CUINYHNUVZSCAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2482-80-6

CID: 96014

Formula: C8H9ClN4

MW: 196.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.64
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	196.0515740
Monoisotopic Mass	196.0515740
Topological Polar Surface Area	31.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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

Catalog	Name
T27292-01	Ethimidine