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Ethyl acetamidocyanoacetate 97%

CAT: 0286-E04180-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-E04180-01Size:1 g
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CAS Number
4977-62-2
Synonyms
N-Acetyl-2-cyanoglycine ethyl ester; Acetamidocyanoacetic acid ethyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009133
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Ethyl acetamidocyanoacetate
CAS Number4977-62-2
PubChem CID95422
IUPAC Nameethyl 2-acetamido-2-cyanoacetate
Molecular FormulaC7H10N2O3
Molecular Weight170.17
XLogP-0.2
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity228
SMILES
CCOC(=O)C(C#N)NC(=O)C
InChI
InChI=1S/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10)
InChIKey
SLIRLABNGAZSHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl acetamidocyanoacetate
CAS: 4977-62-2
CID: 95422
Formula: C7H10N2O3
MW: 170.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.17
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass170.06914219
Monoisotopic Mass170.06914219
Topological Polar Surface Area79.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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