UCSF

ZINC19366161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 Yes

Popular Name: N,N'-Dibenzylethylenediamine N,N'-Dibenzylethylenediamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 122-75-8 , 140-28-3 , 14165-27-6 , 173259-79-5 , 3412-76-8 , 83031-43-0 , [140-28-3] , [3412-76-8]

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) 2.68 7 -41.26 3 2 1 29 241.358 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 TCI
MP 116-120° Oakwood Chemical
Melting_Point 117-118? Alfa-Aesar
Melting_Point 117-118° Alfa-Aesar
BP 175 / 2 TCI
Boiling_Point 184-186?/2mm Alfa-Aesar
Boiling_Point 184-186°/2mm Alfa-Aesar
BP [°C] 212 - 213 (p=12 torr) Acros Organics
Melting_Point 23-25? Alfa-Aesar
Melting_Point 23-25° Alfa-Aesar
Mp [°C] 26 Acros Organics
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 99% APIChem
Hazard C: Corrosive Acros Organics
Patent Database Links EP0826685; EP0842937; EP1619190; EP1707200; EP1829534; US2003229083; US2004059120; US2005026911; US2005096331; US2005119244; US2006058280; US2006094703; US2006252826; US2007203233; US2008096962; WO2005105738; WO2006016347; WO2007112581; WO2008135767; WO20 ChEBI
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage 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 R22: Harmful if swallowed.; R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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