| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 9 | Yes |
Popular Name: (S)-(-)-1-Phenylethylamine (S)-(-)-1-Phenylethylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13437-79-1 , 15888-12-7 , 17430-98-7 , 25383-07-7 , 2627-86-3 , 3886-69-9 , 54423-01-7 , 61789-73-9 , 618-36-0 , 64-04-0 , 98-84-0 , [13437-79-1] , [618-36-0] , [98-84-0]
"(S)-(-)-1-Phenylethylamine, 99% [ee: 98%]"
(+/-)-1-Phenylethylamine, 98+%
(R)-(+)-alpha-Methylbenzylamine
(S)-(+)-1-Cyclohexylethylamine
(S)-(-)-1-Phenylethylamine, 98%
(S)-(-)-1-Phenylethylamine, 99+%, produced by BASF AG
(S)-(-)-1-Phenylethylamine, ChiPros 99+%, ee 99.5%
(S)-(-)-Alpha-Methylbenzylamine
1-Phenylethylamine; C02455; alpha-Methylbenzylamine; alpha-Phenylethylamine
CCRIS 5153; LS-188721; cis-Dichloro(alpha-methylbenzenemethanamine)(ethene)platinum
DL-?-Methylbenzylamine;DL-?-Phenylethylamine
DL-alpha-Methylbenzylamine, 99%
n-methyl-1-phenylmethanaminehydrochloride
| 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) | -0.20 | 3.25 | -42.1 | 3 | 1 | 1 | 28 | 122.191 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 10 | Acros Organics |
| MP | 10 - -8 | Enamine Building Blocks |
| MP | 10...-8 | Enamine Building Blocks |
| Melting_Point | 10? | Alfa-Aesar |
| Melting_Point | 10° | Alfa-Aesar |
| Mp [°C] | 65 | Acros Organics |
| BP | 185 | TCI |
| BP | 185°/756mm | Oakwood Chemical |
| BP [°C] | 187 - 189 | Acros Organics |
| Boiling_Point | 187? | Alfa-Aesar |
| Boiling_Point | 187° | Alfa-Aesar |
| BP [°C] | 188 | Acros Organics |
| Boiling_Point | 69-70?/10mm | Alfa-Aesar |
| Boiling_Point | 69-70°/10mm | Alfa-Aesar |
| BP | 84 / 22 | TCI |
| 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 |
| PUBCHEM_PATENT_ID | EP0233140A1; US4730000; US4863621; US5002698 | IBM Patent Data |
| Patent Database Links | EP1211254; US2005020659; US2005075344; US2006199821; US2007259868; WO2006027344; WO2006027345; WO2006113140 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage | 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 | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful 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.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: | Acros Organics |
| Warnings | Toxic/Corrosive | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4415591 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.