UCSF

ZINC39952148

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 13 Yes

Popular Name: 1-N-Boc-2-Methylpropane-1,2-diamine hydrochloride 1-N-Boc-2-Methylpropane-1,2-diam…

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CAS Numbers: 1179361-35-3 , 95034-05-2 , 98393-19-2 , [1179361-35-3]

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) 1.35 0.97 -44.16 4 4 1 66 189.279 4 ↓
Hi High (pH 8-9.5) 1.35 0.74 -5.13 3 4 0 64 188.271 4 ↓
Hi High (pH 8-9.5) 0.85 5.61 -61.65 3 10 -1 140 500.482 11 ↓

Vendor Notes

Note Type Comments Provided By
MP 66 - 68 Enamine Building Blocks
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0662481A1; EP0662481B1 IBM Patent Data

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