UCSF

ZINC01606001

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 2-(methylamino)benzonitrile 2-(methylamino)benzonitrile

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CAS Number: 17583-40-3

Other Names:

MFCD11155692

SH-5128

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) 1.50 0.93 -5.25 1 2 0 35 132.166 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 66 - 68 Enamine Building Blocks
MP 66...68 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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