UCSF

ZINC02163878

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Substance Information

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

Popular Name: 3-(1-azepanyl)-1-propanamine 3-(1-azepanyl)-1-propanamine

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CAS Numbers: 118979-65-0 , 3437-33-0 , [3437-33-0]

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) 0.83 3.87 -102.78 4 2 2 32 158.289 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 196 - 199 Enamine Building Blocks
MP 196...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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