| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 13 | Yes |
Popular Name: 1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid hydrochloride 1,2,3,4-Tetrahydroisoquinoline-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 151004-93-2 , 41034-52-0 , 486-73-7 , 5926-71-6 , 92932-74-6 , [151004-93-2] , [41034-52-0] , [5926-71-6] , [92932-74-6]
(R)-1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid
(R)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
(R)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid
(R)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylicacid
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLICACID
1,2,3,4-Tetrahydro-1-isoquinolinecarboxylic acid hydrochloride
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
1,2,3,4-tetrahydro-isoquinoline-1-carboxylicacid
1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid HCl
1,2,3,4-Tetrahydroisoquinoline-1-carboxylicacidhydrochloride
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1R)-
1-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 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) | 0.92 | 5.22 | -37.18 | 2 | 3 | 0 | 57 | 177.203 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 4 | -51.04 | 1 | 3 | -1 | 52 | 176.195 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 222 - 224 | Enamine Building Blocks |
| MP | 222...224 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0653427A1; EP0669920A1; EP1020470A2; US5494908; US5580982; US5756754; US5777108; US5925766; US6046203; WO1994012495A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.