UCSF

ZINC01555605

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 6 Yes

Popular Name: 3-Methoxypropylamine 3-Methoxypropylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5332-73-0 , [5332-73-0]

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) -0.63 -0.64 -41.76 3 2 1 37 90.146 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 65 Acros Organics
Boiling_Point 117-119? Alfa-Aesar
Boiling_Point 117-119° Alfa-Aesar
BP [°C] 118 Acros Organics
BP 120 TCI
Purity 95% Fluorochem
Melting_Point <-70? Alfa-Aesar
Melting_Point <-70° Alfa-Aesar
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP0075207A2; US4540697; US4571409; WO1992017452A1 IBM Patent Data
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H226: Flammable liquid and vapor; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting effects Acros Organics
P phrase P260: Do not breathe dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R43: May cause sensitisation by skin contact.; R35: Causes severe burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

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

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