UCSF

ZINC19943362

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 11 No

Popular Name: 2-(Benzylamino)acetonitrile 2-(Benzylamino)acetonitrile

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CAS Numbers: 3010-05-7 , 63086-36-2

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) 1.28 3.53 -7.72 1 2 0 36 146.193 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 153-160? Alfa-Aesar
Melting_Point 153-160° Alfa-Aesar
MP 40 - 42 Enamine Building Blocks
MP 40...42 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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