| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 17 | Yes |
Popular Name: MFCD08741476 MFCD08741476
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1185000-03-6 , 1185300-14-4 , N/A
2-Azepan-1-yl-2-(2-chloro-phenyl)-ethylamine 0.5 oxalate
2-Azepan-1-yl-2-(2-chloro-phenyl)-ethylamine hemioxalate
2-Azepan-1-yl-2-(2-chloro-phenyl)-ethylamine0.5 oxalate
2-Azepan-1-yl-2-(2-chloro-phenyl)-ethylaminehemioxalate
2-azepan-1-yl-2-(2-chlorophenyl)ethanamine
AZEPANYLCHLOROPHENYLETHYLAMINEHEMIOXALAT
| 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) | 2.77 | 7.42 | -118.3 | 4 | 2 | 2 | 32 | 254.805 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 7.29 | -28.06 | 3 | 2 | 1 | 30 | 253.797 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.21 | -40.31 | 3 | 2 | 1 | 31 | 253.797 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
