UCSF

ZINC00319800

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-(Pyrrolidin-1-yl)aniline dihydrochloride 4-(Pyrrolidin-1-yl)aniline dihyd…

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CAS Numbers: 163260-77-3 , 216670-47-2 , 2632-65-7 , [163260-77-3] , [2632-65-7]

Download: MOL2 SDF SMILES Flexibase

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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) 1.52 4.07 -3.51 2 2 0 29 162.236 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 215 - 217 Enamine Building Blocks
MP 215...217 Enamine Building Blocks
MP 262 - 264 Enamine Building Blocks
MP 262...264 Enamine Building Blocks
melting_point 34 - 36 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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