| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 8 | Yes |
Popular Name: Cyclohexane-1,2-diamine Cyclohexane-1,2-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10027-80-2 , 1121-22-8 , 1436-59-5 , 191480-63-4 , 20439-47-8 , 21436-03-3 , 52691-24-4 , 61825-94-3 , 63121-00-6 , 65433-80-9 , 694-83-7 , N/A , [10027-80-2] , [61848-66-6] , [694-83-7]
(+/-)-Trans-1,2-Diaminocyclohexane
(1,2-Diaminocyclohexane)platinum(ii) chloride
(1R)-(-)-TRANS-1,2-DIAMINOCYCLOHEXANE
(1R,2R)-(-)-1,2-Diaminocyclohexane
(1R,2S)-Cyclohexane-1,2-diamine
(1R,2S)-Cyclohexane-1,2-diamine dihydrochloride
(1S,2S)-(+)-1,2-CyclohexanediaMine
(±)-cis-1,2-Diaminocyclohexane, 97%
(R,R)-(-)-1,2-Diaminocyclohexanehydrochloride
1,2-Cyclohexanediamine sulfate
1,2-Diaminocyclohexane, 99%, mixture of cis and trans
1,2-Diaminocyclohexane, mixture of cis and trans
1,2-Diaminocyclohexane, mixture of isomers
1,2-Diaminocyclohexane, mixture of isomers, 99%
Cyclohexane-1,2-diamine 2-cyanoacrylate
| 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) | -0.55 | -0.27 | -121.36 | 6 | 2 | 2 | 55 | 116.208 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -0.5 | -39.77 | 5 | 2 | 1 | 54 | 115.2 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -0.67 | -36.4 | 5 | 2 | 1 | 54 | 115.2 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 188 - 192 | Acros Organics |
| Boiling_Point | 191? | Alfa-Aesar |
| Boiling_Point | 191° | Alfa-Aesar |
| Mp [°C] | 2 - 15 | Acros Organics |
| MP | 33 - 35 | Enamine Building Blocks |
| MP | 33...35 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP [°C] | 92 (p=10.5 torr) | Acros Organics |
| BP | 92-93°/18mm | Oakwood Chemical |
| BP | 93 / 18 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| therap | antineoplastic | MicroSource Spectrum |
| Hazard | C: Corrosive | Acros Organics |
| 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 | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| H phrase | H318: Causes serious 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 | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R35: Causes severe burns.; R37: Irritating to respiratory system.; R41: Risk of serious damage to eyes. | Acros Organics |
| R phrase | 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 |
No pre-computed analogs available. Try a structural similarity search.