UCSF

ZINC38338240

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 10 Yes

Popular Name: N,N'-Dimethyl-1,2-cyclohexanediamine N,N'-Dimethyl-1,2-cyclohexanedia…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1217806-37-5 , 1351479-10-1 , 473918-41-1 , 61798-24-1 , 67579-81-1 , 68173-05-7 , 68737-65-5 , 70708-33-7

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) 1.27 2.99 -111.39 4 2 2 33 144.262 2 ↓
Hi High (pH 8-9.5) 1.27 1.73 -35.26 3 2 1 29 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 45 TCI
BP [°C] 78 - 80 (p=18 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
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 R34: Causes burns. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; 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 immediately (show the label where possible). 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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