UCSF

ZINC02562430

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-Phenylbenzyl amine 3-Phenylbenzyl amine

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CAS Numbers: 177976-49-7 , 870837-46-0 , [177976-49-7] , [870837-46-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 -1.3 -46.88 3 1 1 27 184.262 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 128°/1mm Matrix Scientific
MP 28-30° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings Corrosive/Irritant Matrix Scientific
Warnings IRRITANT, CORROSIVE Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )