chempirical

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

C18H26Cl2N2CAS 1247119-31-8341.32 g/mol

Open in Covalent MOL file
HClHClNH2NH2
Primary amine

Properties

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

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

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

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 Phenylalaninol16088-07-659 % similar L-Phenylalaninol3182-95-459 % similar D-Phenylalaninol5267-64-159 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-755 % similar 2-Aminoindan hydrochloride2338-18-354 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-551 % similar β-Aminobenzenebutanoic acid15099-85-150 % similar

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

Elsewhere

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