Home Other Building Blocks 3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl

3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl

CAS No.:
887922-93-2
Catalog Number:
AG003HZS
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$88
- +
1g
95%
In Stock USA
United States
$232
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003HZS
Chemical Name:
3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
CAS Number:
887922-93-2
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD08690301
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13;/h3-5,8H,1-2,6-7,9H2,(H,14,15);1H
InChI Key:
BORITTZEFSYNFT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)CN1CCCC1.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties