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579-10-2 | N-Methyl-N-phenylacetamide
CAS No: 579-10-2 Catalog No: AG003T71 MDL No:MFCD00026181
Product Description
Catalog Number:
AG003T71
Chemical Name:
N-Methyl-N-phenylacetamide
CAS Number:
579-10-2
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD00026181
IUPAC Name:
N-methyl-N-phenylacetamide
InChI:
InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
LMTGCJANOQOGPI-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)C(=O)C
EC Number:
209-436-8
UNII:
6MR085F8DW
NSC Number:
2140
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Toward prediction of alkane/water partition coefficients. | Journal of medicinal chemistry 20080710 |
| Amide conformational switching induced by protonation of aromatic substituent. | Organic letters 20030417 |
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