UCSF

ZINC02738648

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 18 Yes

Popular Name: N-benzyl-2-(4-methoxyphenyl)-1-ethanamine hydrochloride N-benzyl-2-(4-methoxyphenyl)-1-e…

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CAS Numbers: 51713-72-5 , 855383-29-8

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) 3.36 8.34 -45.69 2 2 1 26 242.342 6 ↓
Mid Mid (pH 6-8) 3.36 6.98 -4.37 1 2 0 21 241.334 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 231° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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