Guanidine, N-cyano-N′-4-pyridinyl-N′′-(1,2,2-trimethylpropyl)-, hydrate (1:1)

C₁₃H₂₁N₅OCAS 85371-64-8263.35 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₃H₂₁N₅O
Molar mass: 263.35 g/mol
Exact mass: 263.1746 Da
logP: 0.95Crippen estimate
Polar surface area: 107.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

85371-64-8

SMILES

CC(NC(=NC#N)N=c1cc[nH]cc1)C(C)(C)C.O

InChIKey

AFJCNBBHEVLGCZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2

Weigh it out

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

Names and synonyms

2 names

Guanidine, N-cyano-N′-4-pyridinyl-N′′-(1,2,2-trimethylpropyl)-, monohydrate, (±)-
Guanidine, N-cyano-N′-4-pyridinyl-N′′-(1,2,2-trimethylpropyl)-, monohydrate

Work with Guanidine, N-cyano-N′-4-pyridinyl-N′′-(1,2,2-trimethylpropyl)-, hydrate (1:1)

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

N-(Pyridin-4-yl)pivalamide70298-89-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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