UCSF

ZINC01529275

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 No

Popular Name: N-octylamine N-octylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111-86-4 , [111-86-4]

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) 2.58 4.2 -39.73 3 1 1 28 130.255 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 1 Acros Organics
Melting_Point 1? Alfa-Aesar
Melting_Point 1° Alfa-Aesar
Boiling_Point 178-179? Alfa-Aesar
Boiling_Point 178-179° Alfa-Aesar
BP [°C] 179 Acros Organics
Hazard C: Corrosive Acros Organics
Hazard C: Corrosive; N: Dangerous for the environment Acros Organics
PUBCHEM_PATENT_ID EP0013663A1; EP0117530A1; EP0138464A2; EP0140324A2; EP0216966A1; EP0216966B2; EP0459656A1; EP0459656B1; EP0475579B1; EP0640120A1; EP0640120B1; EP0676236A1; EP0716086A1; EP0747383A2; EP0747383A3; EP0796257A1; EP0796257B1; EP0801069A1; EP0804441A1; EP080642 IBM Patent Data
PUBCHEM_PATENT_ID EP0226304B1; EP0441468A2; EP0441468B1; EP0458930B1; EP0458939B1; EP0458949A1; EP0458949B1; EP0458950A1; EP0458950B1; EP0542622A1; EP0838217A3 IBM Patent Data
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H400: Very toxic to aquatic life; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R35: Causes severe burns.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwe Acros Organics

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