4,5-Dihydro-N-nitro-1H-imidazol-2-amine

C₃H₆N₄O₂CAS 5465-96-3130.11 g/mol

Open in Covalent MOL file

Guanidine Nitro

Properties

Molecular formula: C₃H₆N₄O₂
Molar mass: 130.11 g/mol
Exact mass: 130.0491 Da
Melting point: 220–221 °C (decomposes)
logP: -1.27Crippen estimate
Polar surface area: 79.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.7% of notifiers

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5465-96-3

SMILES

O=[N+]([O-])NC1=NCCN1

InChIKey

DJZWNSRUEJSEEB-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

Weigh it out

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

Names and synonyms

12 names

1H-Imidazol-2-amine, 4,5-dihydro-N-nitro-
Imidazolidine, 2-(nitroimino)-
2-Nitroaminoimidazoline
2-(Nitroamino)-2-imidazoline
2-Nitramino-2-imidazoline
2-Nitriminoimidazolidine
2-(Nitroimino)imidazolidine
NSC 25961
NSC 65424
NSC 91792
2-Nitroiminoimidazole
2-Nitroamino-2-imidazoline

Work with 4,5-Dihydro-N-nitro-1H-imidazol-2-amine

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

2-Hydrazino-delta-2-imidazoline hydrobromide55959-84-738 % similar Dinotefuran165252-70-037 % similar 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine153719-38-137 % similar Nitrourea556-89-836 % similar Nitroguanidine556-88-735 % similar Clothianidin210880-92-534 % similar N-Methyl-N'-nitroguanidine4245-76-533 % similar N'-Nitro-D-arginine66036-77-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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