cis-3,4-Dihydroxypyrrolid...

C₄H₁₀ClNO₂CAS 186393-21-5139.58 g/mol

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Alcohol Secondary amine

Properties

Molecular formula: C₄H₁₀ClNO₂
Molar mass: 139.58 g/mol
Exact mass: 139.0400 Da
logP: -1.27Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

186393-21-5

SMILES

C1[C@H]([C@H](CN1)O)O.Cl

InChIKey

VADWFRGDDJHKNB-HKTIBRIUSA-N

InChI

InChI=1S/C4H9NO2.ClH/c6-3-1-5-2-4(3)7;/h3-7H,1-2H2;1H/t3-,4+;

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Names and synonyms

1 names

(3S,4R)-Pyrrolidine-3,4-diol hydrochloride

Work with cis-3,4-Dihydroxypyrrolid...

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

3-Hydroxyazetidine hydrochloride18621-18-658 % similar (Azetidin-3-yl)methanol hydrochloride928038-44-245 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-145 % similar 3-Fluoroazetidine hydrochloride617718-46-443 % similar 3-Azetidinol45347-82-842 % similar (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-042 % similar (S)-3-Hydroxypyrrolidine hydrochloride122536-94-142 % similar 3-Hydroxypyrrolidine hydrochloride86070-82-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl sarcosinate hydrochloride13515-93-0 (±)-Alanine methyl ester hydrochloride13515-97-4 (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-4 Dimethylglycine hydrochloride2491-06-7 Alanine methyl ester hydrochloride2491-20-5 Methyl 3-aminopropionate hydrochloride3196-73-4 L-Beta-homoalanine hydrochloride58610-41-6 (s)-2-Aminobutanoic acid hydrochloride5959-29-5

Elsewhere

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