N-(Propan-2-yl)carbamoyl Chloride - CAS 38955-43-0
Catalog: |
BB075677 |
Product Name: |
N-(Propan-2-yl)carbamoyl Chloride |
CAS: |
38955-43-0 |
Synonyms: |
(1-Methylethyl)carbamic Chloride;Isopropylcarbamoyl Chloride;N-(1-Methylethyl)carbamic Chloride |
IUPAC Name: | N-propan-2-ylcarbamoyl chloride |
Description: | N-(Propan-2-yl)carbamoyl Chloride (cas# 38955-43-0) is a useful research chemical. It is used in the preparation of novel heterocyclic compounds such as urolithin A derivatives for prevention or treatment of diseases. |
Molecular Weight: | 121.57 |
Molecular Formula: | C4H8NOCl |
Canonical SMILES: | CC(C)NC(=O)Cl |
InChI: | InChI=1S/C4H8ClNO/c1-3(2)6-4(5)7/h3H,1-2H3,(H,6,7) |
InChI Key: | MFPXPCGVNXPRLZ-UHFFFAOYSA-N |
References: | Stoicescu, D. F., PCT Int. Appl. (2021), WO 2021078811 A1 20210429. |
Complexity: | 72.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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