UCSF

ZINC32500623

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 14 Yes

Popular Name: 1-Benzylpiperidin-3-amine hydrochloride 1-Benzylpiperidin-3-amine hydroc…

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CAS Numbers: 60407-35-4 , 168466-85-1 , 307532-02-1 , 368429-78-1 , 60407-35-4 , [168466-85-1]

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) 1.01 5.48 -114.51 4 2 2 32 192.306 2 ↓
Hi High (pH 8-9.5) 1.01 3.26 -43.31 3 2 1 31 191.298 2 ↓
Lo Low (pH 4.5-6) 1.01 5.16 -32.72 3 2 1 30 191.298 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 349° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92-94°0.08 Torr Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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