UCSF

ZINC02171951

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 11 Yes

Popular Name: 3-methyl-N-(propan-2-yl)aniline hydrochloride 3-methyl-N-(propan-2-yl)aniline …

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CAS Numbers: 10219-26-8 , 1240527-27-8

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) 3.56 0.43 -2.35 1 1 0 12 149.237 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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