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2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1) | CAS No. 79276-06-5

2-Methyl-2-propanyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1)

Basic Information

Chemical_Structure_Of

CAS Number

79276-06-5

Molecular Formula

C21H27NO5S

Molecular Weight

405.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)C1CC2=CC=CC=C2CN1

InChI

InChI=1S/C14H19NO2.C7H8O3S/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,12,15H,8-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1

InChIKey

UGZXWWPMJSGWLE-YDALLXLXSA-N

LogP

3.284320000000002

Topological Polar Surface Area

92.70000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

489

Synonyms & References

English

tert-butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;4-methylbenzenesulfonic acid
79276-06-5
DTXSID60512270
4-Methylbenzene-1-sulfonic acid--tert-butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (1/1)
S-P-ME-BZL-B-MERCAPTOPROPIONIC ACID
tert-butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate,4-methylbenzenesulfonic acid
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, tertButyl ester, PTSA

Related Compounds

(R)-tert-Butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate structure

(R)-tert-Butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

CAS Number: 1022150-11-3

Molecular Formula: C27H30N6O3

2-Hydroxy-5-nitro-1H-isoindole-1,3(2H)-dione structure

2-Hydroxy-5-nitro-1H-isoindole-1,3(2H)-dione

CAS Number: 105969-98-0

Molecular Formula: C8H4N2O5

H-Glu(otbu)-nh2 hydrochloride structure

H-Glu(otbu)-nh2 hydrochloride

CAS Number: 108607-02-9

Molecular Formula: C9H19ClN2O3

[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](4-morpholinyl)methanone (non-preferred name) structure

[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](4-morpholinyl)methanone (non-preferred name)

CAS Number: 1103738-19-7

Molecular Formula: C12H19NO6

MYO-INOSITOL HEXAKIS(DIHYDROGEN PHOSPHATE), DODECASODIUM SALT HYDRATE structure

MYO-INOSITOL HEXAKIS(DIHYDROGEN PHOSPHATE), DODECASODIUM SALT HYDRATE

CAS Number: 123408-98-0

Molecular Formula: C6H8Na12O25P6

2-Methyl-2-propanyl (3S)-3-cyano-1-pyrrolidinecarboxylate structure

2-Methyl-2-propanyl (3S)-3-cyano-1-pyrrolidinecarboxylate

CAS Number: 132945-78-9

Molecular Formula: C10H16N2O2

(4-Chlorophenyl)(3,4-dihydroxyphenyl)methanone structure

(4-Chlorophenyl)(3,4-dihydroxyphenyl)methanone

CAS Number: 134612-84-3

Molecular Formula: C13H9ClO3

3-(4-Methyl-1-piperazinyl)aniline structure

3-(4-Methyl-1-piperazinyl)aniline

CAS Number: 148546-99-0

Molecular Formula: C11H17N3

(5R)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone structure

(5R)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone

CAS Number: 15042-01-0

Molecular Formula: C9H12O6

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Supplier Information

PMC Isochem

CAS Number: 79276-06-5