| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 8 | Yes |
Popular Name: Cyclohexane-1,4-diamine Cyclohexane-1,4-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-50-3 , 15827-56-2 , 2121-79-1 , 2615-25-0 , 3114-70-3 , N/A , [2121-79-1] , [2615-25-0] , [3114-70-3]
"cis-1,4-Cyclohexanediamine, 96%"
"trans-1,4-Diaminocyclohexane, 98%"
(1R,4R)-Cyclohexane-1,4-diamine
1,4-Cyclohexanediamine (cis- and trans- mixture)
cis-Cyclohexane-1,4-diamine dihydrochloride
cis-Cyclohexane-1,4-diamine hydrochloride
cis-Cyclohexane-1,4-diaminedihydrochloride
| 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) | -1.02 | -0.8 | -99.43 | 6 | 2 | 2 | 55 | 116.208 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 197 | Acros Organics |
| BP | 197° | Oakwood Chemical |
| MP | 64 - 66 | Enamine Building Blocks |
| MP | 64...66 | Enamine Building Blocks |
| MP | 67-72° | Matrix Scientific |
| Mp [°C] | 68 - 71 | Acros Organics |
| MP | 68 - 72 | Enamine Building Blocks |
| MP | 68-72° | Oakwood Chemical |
| MP | 68-72°C | Oakwood Chemical |
| MP | 68...72 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive/Stored under Argon/Air Sensitive | Matrix Scientific |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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.; 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 |
