UCSF

ZINC19527252

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 Yes

Popular Name: Benzyl-(1-ethyl-pyrrolidin-2-ylmethyl)-amine Benzyl-(1-ethyl-pyrrolidin-2-ylm…

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CAS Number: 62756-18-7

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) 2.29 7.91 -112.67 3 2 2 21 220.36 5 ↓
Mid Mid (pH 6-8) 2.29 6.57 -33.56 2 2 1 16 219.352 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 134°/1 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

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