Home Other Building Blocks 887922-93-2
887922-93-2,MFCD08690301
Catalog No.:AA003HX0
887922-93-2 | 3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$86.00   $60.00
- +
1g
95%
in stock  
$215.00   $150.00
- +
5g
95%
in stock  
$715.00   $500.00
- +
10g
95%
in stock  
$1,191.00   $834.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HX0
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
Computed 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

Synonyms
 
887922-93-2 
3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride 
SBB099502 
AKOS015904455 
AC-7378 
AN-9063 
TRA0028695 
DS-16893 
SY005947 
AB1000633 
AX8174325 
TC-307164 
3-(pyrrolidin-1-ylmethyl)benzoic acid hydrochloride 
3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl 
3-(pyrrolidinylmethyl)benzoic acid, chloride 
3-(1-Pyrrolidylmethyl)benzoicAcidHydrochloride 
MFCD08690301 (95%) 
3-pyrrolidin-1-ylmethyl-benzoic acid hydochloride 
3-pyrrolidin-1-ylmethyl-benzoic acid hydrochloride 
I14-17416 
3-(pyrrolidin-1-ylmethyl)benzoic acid hydrochloride, AldrichCPR 
3-[(Pyrrolidin-1-yl)methyl]benzoic acid--hydrogen chloride (1/1) 
C12H15NO2.HCl 
AK-82545 
285996-76-1 
SCHEMBL1371448 
DTXSID50594626 
BORITTZEFSYNFT-UHFFFAOYSA-N 
KS-00000CI4 
5726AJ 
MFCD08690301 
Literature
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