Cyclocreatine

C₅H₉N₃O₂CAS 35404-50-3143.15 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₅H₉N₃O₂
Molar mass: 143.15 g/mol
Exact mass: 143.0695 Da
logP: -1.30Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 40 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

35404-50-3

SMILES

C1CN(C(=N1)N)CC(=O)O

InChIKey

AMHZIUVRYRVYBA-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)

Weigh it out

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

Work with Cyclocreatine

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

Ethylenediaminetetraacetic acid60-00-442 % similar Dota (chelator)60239-18-142 % similar 2-(2-Oxopyrrolidin-1-yl)acetic acid53934-76-242 % similar Pentetic acid67-43-641 % similar Triethylenetetraminehexaacetic acid869-52-341 % similar Nitrilotriacetic acid139-13-940 % similar PDTA1939-36-239 % similar Hexamethylenediaminetetraacetic acid1633-00-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butoxycarbonyl azide1070-19-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook