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Cyazid

CAS: 140-87-4 | C3H5N3O

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 140-87-4
Molecular Formula: C3H5N3O
Molecular Weight: 99.093 g/mol

Names and Synonyms:

Cyazid
Acetic acid, 2-cyano-, hydrazide
Cyanoacetic Acid Hydrazide
Acetic acid, cyano-, hydrazide
AB-42
Armazal
Cyacetacide
Cyacetazide
Cyanacethydrazide
Cyanacetic acid hydrazide
Cyanacetohydrazide
Cyanacetylhydrazide
Cyanazide
Cyanizide
Cyanoacetic acid hydrazide
Cyanoacetohydrazide
Cyazide
Dictycide
Dictyzide
Helmox
Hidacian
Leandin
Malonitrile hydrazide
Malononitrile hydrazide
Neohydrazid
Reacid
Reazide
Cyanoacethydrazide
α-Cyanoacetohydrazide
Cyanoacetyl hydrazide
(Cyanoacetyl)hydrazine
Mackreazid
Tsiazid
Cyacetazid
Reazid
Cianazil
Cyacetacid
Hidaciann
2-Cyanoacetohydrazide
Cyanoacetic hydrazide
(α-Cyanoacetyl)hydrazine
Cyanoethanoic hydrazide
2-Cyanoacethydrazide
2-Cyanoacetylhydrazide
NSC 24261
2-Cyano acetyl hydrazine
2-Cyanoacetic acid hydrazide

Identifiers:

SMILES:
N#CCC(O)=NN
InChI:
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 99.093 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 99.04326178 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 7 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 82.39999999999999 Ų RDKit

Physical Properties

Property Value Source
LogP -0.26971999999999985 RDKit
molecular_mass 99.09 g/mol Legacy Database
cas-canonical-smile N#CCC(=O)NN None Legacy Database
cas-inchi InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7) None Legacy Database
cas-inchi-key InChIKey=HPHBOJANXDKUQD-UHFFFAOYSA-N None Legacy Database
cas-melting-point 114.5-115 °C None Legacy Database
cas-name Cyanoacetic acid hydrazide None Legacy Database

Molar

Property Value Source
Molar Refractivity 24.4812 RDKit

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