N-(Aminocarbonyl)-2-cyanoacetamide

C₄H₅N₃O₂CAS 1448-98-2127.10 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₄H₅N₃O₂
Molar mass: 127.10 g/mol
Exact mass: 127.0382 Da
Melting point: 161 °C
logP: 0.35Crippen estimate
Polar surface area: 100.5 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1448-98-2

SMILES

N#CCC(O)=NC(=N)O

InChIKey

QJGRPCPCQQPZLZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Acetamide, N-(aminocarbonyl)-2-cyano-
Urea, (cyanoacetyl)-
(Cyanoacetyl)urea
(2-Cyanoethanoyl)urea
NSC 6287
N-Carbamoyl-2-cyanoacetamide
(2-Cyanoacetyl)urea

Work with N-(Aminocarbonyl)-2-cyanoacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyanoacetic acid hydrazide140-87-450 % similar Cyanoacetamide107-91-545 % similar N-Cyanoacetylethylcarbamate6629-04-545 % similar Cyanoacetic acid372-09-835 % similar Acetylurea591-07-135 % similar Cyanothioacetamide7357-70-235 % similar 2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide846023-24-335 % similar Azodicarbonamide123-77-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-4-nitroimidazole14003-66-8 1,2,4-Triazole-1-acetic acid28711-29-7 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 Methyl 1,2,3-triazole-4-carboxylate4967-77-5 3-Methyl-4-nitro-1H-pyrazole5334-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook