| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | Yes |
Popular Name: 4-Methylcyclohexanamine 4-Methylcyclohexanamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100959-19-1 , 2523-55-9 , 33483-65-7 , 33483-66-8 , 540-23-8 , 6321-23-9 , [6321-23-9]
"trans-4-Methyl-cyclohexylamine hydrochloride, 99%"
(1r,4r)-4-methylcyclohexan-1-amine
(4-methylcyclohexyl)amine hydrochloride
1-Amino-4-methylcyclohexane hydrochloride
4-methylcyclohexan-1-amine hydrochloride
4-Methylcyclohexanamine hydrochloride
4-Methylcyclohexylamine Hydrochloride
4-Methylcyclohexylamine hydrochloride, cis + trans
4-Methylcyclohexylamine hydrochloride, cis + trans, 98+%
4-Methylcyclohexylamine, 97%, mixture of cis and trans
Cis-4-methyl-cyclohexylamine hcl
Cis-4-methyl-cyclohexylamine hydrochloride
cis-4-methylcyclohexanamine hydrochloride
cis-4-methylcyclohexanaminehydrochloride
cyclohexanamine, 4-methyl-, hydrochloride
Trans-4-Methyl-Cyclohexylamine
trans-4-Methyl-cyclohexylamine hydrochloride
trans-4-methylcyclohexan-1-amine hydrochloride
trans-4-Methylcyclohexanamine hydrochloride
| 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) | 0.87 | 2.62 | -41.86 | 3 | 1 | 1 | 28 | 114.212 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 151 | TCI |
| BP [°C] | 151 - 154 | Acros Organics |
| MP | 223 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| Melting_Point | ca 224? dec. | Alfa-Aesar |
| Melting_Point | ca 224° dec. | Alfa-Aesar |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor | 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 | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R35: Causes severe burns. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9NFS5-1-E | Spermidine Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 1.02 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9NFS5_PLAFA | Q9NFS5 | Spermidine Synthase, Plafa | 1400 | 1.02 | Binding ≤ 10μM |
