CAS 10601-63-5 | Propanamide, N-(1-methylethyl)- | CAS Number 10601-63-5

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10601-63-5 | Propanamide, N-(1-methylethyl)-

CAS No: 10601-63-5 Catalog No: AG01FN7E MDL No:MFCD03376407

Product Description

Catalog Number:

AG01FN7E

Chemical Name:

Propanamide, N-(1-methylethyl)-

CAS Number:

10601-63-5

Molecular Formula:

C6H13NO

Molecular Weight:

115.1735

MDL Number:

MFCD03376407

IUPAC Name:

N-propan-2-ylpropanamide

InChI:

InChI=1S/C6H13NO/c1-4-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8)

InChI Key:

KYKDOARTYFGHPC-UHFFFAOYSA-N

SMILES:

CCC(=O)NC(C)C

NSC Number:

406179

Properties

Complexity:

78.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

115.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

115.176g/mol

Monoisotopic Mass:

115.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Dynamics of the crystal to plastic crystal transition in the hydrogen bonded N-isopropylpropionamide.	The journal of physical chemistry. B 20101111
Phase-separable aqueous amide solutions as a thermal history indicator.	Bioscience, biotechnology, and biochemistry 20081201
Phase behavior of N-(Isopropyl)propionamide in aqueous solution and changes in hydration observed by FTIR spectroscopy.	The journal of physical chemistry. B 20080417