Name: Name:4-(3,3-DIETHYLPYRROLIDIN-1-YL)BENZOIC ACID
Brand: Angene
SKU: AG01EKJ3
Rating: 90 (10 reviews)

4-(3,3-DIETHYLPYRROLIDIN-1-YL)BENZOIC ACID

CAS No.:

1523552-79-5

Catalog Number:

AG01EKJ3

Molecular Formula:

C15H21NO2

Molecular Weight:

247.3327

Catalog Number:

AG01EKJ3

Chemical Name:

4-(3,3-DIETHYLPYRROLIDIN-1-YL)BENZOIC ACID

CAS Number:

1523552-79-5

Molecular Formula:

C15H21NO2

Molecular Weight:

247.3327

MDL Number:

MFCD23395109

IUPAC Name:

4-(3,3-diethylpyrrolidin-1-yl)benzoic acid

InChI:

InChI=1S/C15H21NO2/c1-3-15(4-2)9-10-16(11-15)13-7-5-12(6-8-13)14(17)18/h5-8H,3-4,9-11H2,1-2H3,(H,17,18)

InChI Key:

QANBLEWCONRXHI-UHFFFAOYSA-N

SMILES:

CCC1(CC)CCN(C1)c1ccc(cc1)C(=O)O

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.338g/mol

Monoisotopic Mass:

247.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6