UCSF

ZINC12376742

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 11 Yes

Popular Name: 3-Anilinopropionitrile 3-Anilinopropionitrile

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CAS Numbers: 1075-76-9 , [1075-76-9]

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) 1.25 4.59 -8.17 1 2 0 36 146.193 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 160 / 6 TCI
MP 50 TCI
MP 52 - 53 Enamine Building Blocks
MP 52...53 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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