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3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride

3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride - CAS 887922-93-2

Name: 3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039208
Product Name:	3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride
CAS:	887922-93-2
Synonyms:	3-(1-pyrrolidinylmethyl)benzoic acid;hydrochloride; 3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
Description:	3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride (CAS# 887922-93-2) is a useful research chemical.
Molecular Weight:	241.71
Molecular Formula:	C12H16ClNO2
Canonical SMILES:	C1CCN(C1)CC2=CC=CC(=C2)C(=O)O.Cl
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
Boiling Point:	377 °C at 760 mmHg
LogP:	2.72050

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2006326063-A1	Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors	20051212
AU-2006326063-B2	Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors	20051212
CA-2631907-A1	Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors	20051212
EP-1963326-A1	Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors	20051212
JP-2009523707-A	Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors	20051212

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.0869564
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	241.0869564
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0