3-(1-Piperazinyl)propionic acid - CAS 27245-31-4
Catalog: |
BB019504 |
Product Name: |
3-(1-Piperazinyl)propionic acid |
CAS: |
27245-31-4 |
Synonyms: |
3-piperazin-1-ylpropanoic acid |
IUPAC Name: | 3-piperazin-1-ylpropanoic acid |
Description: | 3-(1-Piperazinyl)propionic acid (CAS# 27245-31-4) is a useful research chemical. |
Molecular Weight: | 158.20 |
Molecular Formula: | C7H14N2O2 |
Canonical SMILES: | C1CN(CCN1)CCC(=O)O |
InChI: | InChI=1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11) |
InChI Key: | RSEHHYMPNZWTGQ-UHFFFAOYSA-N |
Boiling Point: | 318.6 °C at 760 mmHg |
Density: | 1.112 g/cm3 |
MDL: | MFCD03161179 |
LogP: | -0.36700 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3.2 |
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