Cyclopentylacetic acid - CAS 1123-00-8
Catalog: |
BB002931 |
Product Name: |
Cyclopentylacetic acid |
CAS: |
1123-00-8 |
Synonyms: |
2-cyclopentylacetic acid |
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 °C (23 torr) |
Density: | 1.06 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00001387 |
LogP: | 1.65130 |
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 |
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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 |
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