Name: Name:3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3S)-
Brand: Angene
SKU: AG000BUL
Rating: 90 (10 reviews)

3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3S)-

CAS No.:

116183-79-0

Catalog Number:

AG000BUL

Molecular Formula:

C18H21NO3S

Molecular Weight:

331.4292

Catalog Number:

AG000BUL

Chemical Name:

3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3S)-

CAS Number:

116183-79-0

Molecular Formula:

C18H21NO3S

Molecular Weight:

331.4292

MDL Number:

MFCD09955072

IUPAC Name:

[(3S)-1-benzylpyrrolidin-3-yl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C18H21NO3S/c1-15-7-9-18(10-8-15)23(20,21)22-17-11-12-19(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m0/s1

InChI Key:

DFFINYKUAYHRBO-KRWDZBQOSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)O[C@H]1CCN(C1)Cc1ccccc1

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.43g/mol

Monoisotopic Mass:

331.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3