Cyclopentylacetic acid - CAS 1123-00-8

Catalog:	BB002931
Product Name:	Cyclopentylacetic acid
CAS:	1123-00-8
Synonyms:	2-cyclopentylacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-cyclopentylacetic acid
Description:	Cyclopentylacetic acid (CAS# 1123-00-8) is a reagent the synthesis of Cyclopentamine (C988355), which is a vasoconstrictor that acts as a releasing agent of the neurotransmitters norepinephrine, epinephrine and dopamine.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	C1CCC(C1)CC(=O)O
InChI:	InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
InChI Key:	YVHAIVPPUIZFBA-UHFFFAOYSA-N
Boiling Point:	133-134 ℃ (23 torr)
Density:	1.06 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00001387
LogP:	1.65130

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9