(R,R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride

C₁₈H₂₆Cl₂N₂CAS 1247119-31-8341.32 g/mol

Properties

Molecular formula: C₁₈H₂₆Cl₂N₂
Molar mass: 341.32 g/mol
Exact mass: 340.1473 Da
logP: 3.75Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1247119-31-8

SMILES

Cl.Cl.N[C@H](CC[C@@H](N)Cc1ccccc1)Cc1ccccc1

InChIKey

XTTBTZPGZLVADL-RKDOVGOJSA-N

InChI

InChI=1S/C18H24N2.2ClH/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,19-20H2;2*1H/t17-,18-;;/m1../s1

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Names and synonyms

1 names

2,5-Hexanediamine, 1,6-diphenyl-, hydrochloride (1:2), (2R,5R)-

Work with (R,R)-1,6-Diphenylhexane-2,5-diamine 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

(S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-259 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-459 % similar Phenylalaninol16088-07-659 % similar L-Phenylalaninol3182-95-459 % similar D-Phenylalaninol5267-64-159 % similar 1-Benzylpiperidin-4-amine dihydrochloride1205-72-755 % similar 2-Aminoindan hydrochloride2338-18-354 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-551 % similar

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

Elsewhere

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