CAS 1001-53-2 | Acetamide, N-(2-aminoethyl)- | CAS Number 1001-53-2

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1001-53-2 | Acetamide, N-(2-aminoethyl)-

CAS No: 1001-53-2 Catalog No: AG0000Y4 MDL No:MFCD00008163

Product Description

Catalog Number:

AG0000Y4

Chemical Name:

Acetamide, N-(2-aminoethyl)-

CAS Number:

1001-53-2

Molecular Formula:

C4H10N2O

Molecular Weight:

102.1350

MDL Number:

MFCD00008163

IUPAC Name:

N-(2-aminoethyl)acetamide

InChI:

InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)

InChI Key:

DAKZISABEDGGSV-UHFFFAOYSA-N

SMILES:

CC(=O)NCCN

UNII:

FQL33V3KZD

NSC Number:

28936

Properties

Complexity:

62.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

102.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

102.137g/mol

Monoisotopic Mass:

102.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.4

Literature

Title	Journal
Synthesis, structure-activity relationship, and pharmacological studies of novel melanin-concentrating hormone receptor 1 antagonists 3-aminomethylquinolines: reducing human ether-a-go-go-related gene (hERG) associated liabilities.	Journal of medicinal chemistry 20120510
Synthesis and chemical characterization of the novel agronomically relevant pentadentate chelate 2-(2-((2-hydroxybenzyl)amino)ethylamino)-2-(2-hydroxyphenyl)acetic acid (DCHA).	Journal of agricultural and food chemistry 20100714
N[bond]C(alpha) bond dissociation energies and kinetics in amide and peptide radicals. Is the dissociation a non-ergodic process?	Journal of the American Chemical Society 20030514