N-Acetylhomopiperazine - CAS 61903-11-5
Catalog: |
BB031314 |
Product Name: |
N-Acetylhomopiperazine |
CAS: |
61903-11-5 |
Synonyms: |
1-(1,4-diazepan-1-yl)ethanone |
IUPAC Name: | 1-(1,4-diazepan-1-yl)ethanone |
Description: | N-Acetylhomopiperazine (CAS# 61903-11-5) is a useful research chemical. |
Molecular Weight: | 142.20 |
Molecular Formula: | C7H14N2O |
Canonical SMILES: | CC(=O)N1CCCNCC1 |
InChI: | InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3 |
InChI Key: | TWJPZMYNUBAUGA-UHFFFAOYSA-N |
Boiling Point: | 274.5 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.077 g/mL at 20 ℃ (lit.) |
MDL: | MFCD00674492 |
LogP: | 0.09490 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.110613074 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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