UCSF

ZINC19312725

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 11 Yes

Popular Name: N-benzylprop-2-yn-1-amine N-benzylprop-2-yn-1-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1007-53-0 , 1197-51-9 , [1197-51-9]

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) 1.66 4.31 -3.84 1 1 0 12 145.205 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 101-103°/8 Torr Matrix Scientific
MP 163° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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