UCSF

ZINC01675835

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 4-Benzylaniline 4-Benzylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1135-12-2 , 6317-57-3 , [1135-12-2]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.97 -0.16 -3.77 2 1 0 26 183.254 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 142-144?/1mm Alfa-Aesar
Boiling_Point 142-144°/1mm Alfa-Aesar
MP 219° Matrix Scientific
MP 33-35° Matrix Scientific
Melting_Point 35-38? Alfa-Aesar
Melting_Point 35-38° Alfa-Aesar
MP 44 TCI
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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