UCSF

ZINC01677413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 3-(Dimethylamino)propionic acid hydrochloride 3-(Dimethylamino)propionic acid …

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CAS Numbers: 14788-12-6 , 6300-04-5 , [14788-12-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.14 3.25 -50.45 1 3 0 45 117.148 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 130 - 132 Enamine Building Blocks
MP 130...132 Enamine Building Blocks
BP 140-142°/0.15 Torr Matrix Scientific
MP 141 - 143 Enamine Building Blocks
MP 143-144° Matrix Scientific
MP 187-191° Oakwood Chemical
MP 189 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0226896A2; EP0226896B1; EP0618222A3; US4818765; US4914206 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.