(-)-3-Aminopyrrolidine

C₄H₁₀N₂CAS 128345-57-386.14 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₄H₁₀N₂
Molar mass: 86.14 g/mol
Exact mass: 86.0844 Da
Boiling point: 80–83 °C (at 300 Torr)
logP: -0.69Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage13.6% of notifiers
H315 Causes skin irritation86.4% of notifiers
H319 Causes serious eye irritation86.4% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

128345-57-3

SMILES

N[C@H]1CCNC1

InChIKey

NGXSWUFDCSEIOO-BYPYZUCNSA-N

InChI

InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1

Weigh it out

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

Names and synonyms

11 names

3-Pyrrolidinamine, (3S)-
3-Pyrrolidinamine, (S)-
(3S)-3-Pyrrolidinamine
(3S)-(-)-3-Aminopyrrolidine
(S)-3-Aminopyrrolidine
(3S)-Aminopyrrolidine
(3S)-3-Aminopyrrolidine
(S)-(-)-3-Aminopyrrolidine
(S)-Pyrrolidin-3-amine
(3S)-Pyrrolidin-3-amine
3-Pyrrolidinamine (3S)-

Work with (-)-3-Aminopyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-3-Aminopyrrolidine116183-82-5Enantiomer 3-Aminopyrrolidine79286-79-6Stereo not defined (R)-3-Aminopyrrolidine dihydrochloride116183-81-4Salt, enantiomer (S)-3-Aminopyrrolidine dihydrochloride116183-83-6Salt 3-Aminopyrrolidine dihydrochloride103831-11-4Salt, stereo not defined

Similar compounds

(3R)-Piperidin-3-amine127294-73-970 % similar 3-Aminopiperidine54012-73-670 % similar (S)-Piperidin-3-amine80918-66-770 % similar 4-Piperidinamine13035-19-367 % similar (+/-)-3-Amino-homopiperidine69154-03-667 % similar Piperidin-3-amine dihydrochloride138060-07-861 % similar (S)-3-Aminopiperidine dihydrochloride334618-07-461 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperazine110-85-0 1-Aminopyrrolidine16596-41-1 Azoethane821-14-7

Elsewhere

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