(13S)-tricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine hydrochloride

• ChemBase ID: 121924
• Molecular Formular: C13H22ClN
• Molecular Mass: 227.77348
• Monoisotopic Mass: 227.14407739
• SMILES: C12=C(CC3[C@@H](C1CCC3)N)CCCC2.Cl
• Canonical SMILES: N[C@H]1C2CCCC1C1=C(C2)CCCC1.Cl
• InChI: InChI=1S/C13H21N.ClH/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10;/h10,12-13H,1-8,14H2;1H/t10?,12?,13-;/m0./s1
• InChIKey: ASLHJOOMPCYUTM-PBJYHTESSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (13S)-tricyclo[7.3.1.0^2,^7]tridec-2(7)-en-13-amine hydrochloride
• IUPAC Traditional name: (13S)-tricyclo[7.3.1.0^2,^7]tridec-2(7)-en-13-amine hydrochloride
• Synonyms: (11S)-1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzo[8]annulen-11-amine hydrochloride

Database IDs

• PubChem SID: 162216277
• PubChem CID: 44663943

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59340566
• LogD (pH = 7.4): -0.31946236
• Log P: 2.4348123
• Molar Refractivity: 59.7554 cm^3
• Polarizability: 23.809969 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl

DETAILS

InterBioScreen - BB_SC-3156

Racemic