UCSF

ZINC32628916

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 8 Yes

Popular Name: (1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-ylmethanol (1R,5S,6R)-3-azabicyclo[3.1.0]he…

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CAS Numbers: 134575-13-6 , 289037-48-5 , N/A , [134575-13-6]

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) 0.66 -0.44 -40.07 3 2 1 37 114.168 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
melting_point 118 - 119 KeyOrganics
MP 118-119° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5164402; US5391763 IBM Patent Data

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