UCSF

ZINC04203031

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Popular Name: 1-Boc-3-(aminomethyl)pyrrolidine 1-Boc-3-(aminomethyl)pyrrolidine

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CAS Numbers: 1188264-09-6 , 199174-29-3 , 199175-10-5 , 270912-72-6 , 916214-30-7 , 916214-31-8 , [1188264-09-6] , [199174-29-3] , [270912-72-6] , [916214-31-8]

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) 0.68 2.62 -49.85 3 4 1 57 201.29 3 ↓
Hi High (pH 8-9.5) 3.10 7.59 -19.68 2 12 0 142 615.639 9 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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