(S)-3-Amino-1-benzylpyrrolidine dihydrochloride

C₁₁H₁₈Cl₂N₂CAS 131852-54-5249.18 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₈Cl₂N₂
Molar mass: 249.18 g/mol
Exact mass: 248.0847 Da
logP: 2.06Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

131852-54-5

SMILES

C1CN(C[C@H]1N)CC2=CC=CC=C2.Cl.Cl

InChIKey

NBBRIIZFMWSCHJ-IDMXKUIJSA-N

InChI

InChI=1S/C11H16N2.2ClH/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10;;/h1-5,11H,6-9,12H2;2*1H/t11-;;/m0../s1

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Names and synonyms

1 names

(3S)-1-Benzylpyrrolidin-3-amine dihydrochloride

Work with (S)-3-Amino-1-benzylpyrrolidine dihydrochloride

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

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-790 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-890 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-182 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-781 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-174 % similar 4-Amino-1-benzylpiperidine50541-93-072 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-155 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(3-Methylphenyl)piperazine dihydrochloride13078-13-2 Benzylpiperazine dihydrochloride5321-63-1

Elsewhere

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