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3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride

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

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

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

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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

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