UCSF

ZINC00389785

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 9 Yes

Popular Name: 4-(aminomethyl)aniline 4-(aminomethyl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4403-71-8 , 54799-03-0

Download: MOL2 SDF SMILES Flexibase

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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) 0.20 0.41 -41.94 5 2 1 54 123.179 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R34: Causes burns. Acros Organics
PUBCHEM_PATENT_ID WO2000032574A1 IBM Patent Data

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