N-Acetylcaprolactam - CAS 1888-91-1
Catalog: |
BB014567 |
Product Name: |
N-Acetylcaprolactam |
CAS: |
1888-91-1 |
Synonyms: |
1-acetylazepan-2-one |
IUPAC Name: | 1-acetylazepan-2-one |
Description: | N-Acetylcaprolactam (CAS# 1888-91-1 ) is a useful research chemical. |
Molecular Weight: | 155.19 |
Molecular Formula: | C8H13NO2 |
Canonical SMILES: | CC(=O)N1CCCCCC1=O |
InChI: | InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3 |
InChI Key: | QISSLHPKTCLLDL-UHFFFAOYSA-N |
Boiling Point: | 134-135 ℃26 mmHg (lit.) |
Purity: | 99 % |
Density: | 1.094 g/mL at 25 ℃(lit.) |
Appearance: | Colourless liquid |
MDL: | MFCD00003262 |
LogP: | 0.87340 |
GHS Hazard Statement: | H302 (98.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
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Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.094628657 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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