(2S)-Pyrrolidine-2-carbonitrile hydrochloride

C₅H₉ClN₂CAS 65732-69-6132.59 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₅H₉ClN₂
Molar mass: 132.59 g/mol
Exact mass: 132.0454 Da
logP: 0.68Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65732-69-6

SMILES

C1C[C@H](NC1)C#N.Cl

InChIKey

QSJTUXCBPTVKQZ-JEDNCBNOSA-N

InChI

InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-3H2;1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

(S)-Pyrrolidine-2-carbonitrile hydrochloride

Work with (2S)-Pyrrolidine-2-carbonitrile hydrochloride

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

4-Piperidinecarbonitrile hydrochloride240401-22-345 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-541 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-441 % similar 2-Methylpyrrolidine hydrochloride54677-53-141 % similar Azetidine-3-carbonitrile hydrochloride345954-83-838 % similar 4-Cyanopiperidine4395-98-634 % similar (S)-Pyrrolidine-2-carboxamide monohydrochloride42429-27-634 % similar (2R)-Pyrrolidine-2-carboxamide hydrochloride50894-62-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dimethylimidazolium chloride79917-88-7 3-Methylazetidine-3-carbonitrile hydrochloride936850-33-8

Elsewhere

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