632-14-4 - Angene

sales@angenesci.com

Login | Register

1,1,3-Trimethylurea

CAS No.:

632-14-4

Catalog Number:

AG003V4S

Molecular Formula:

C4H10N2O

Molecular Weight:

102.1350

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG003V4S

Chemical Name:

1,1,3-Trimethylurea

CAS Number:

632-14-4

Molecular Formula:

C4H10N2O

Molecular Weight:

102.1350

MDL Number:

MFCD00014868

IUPAC Name:

1,1,3-trimethylurea

InChI:

InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)

InChI Key:

COSWCAGTKRUTQV-UHFFFAOYSA-N

SMILES:

CNC(=O)N(C)C

EC Number:

211-169-7

UNII:

RMK4WZ573B

NSC Number:

409292

Properties

Complexity:

70.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

102.079g/mol

Formal Charge:

0

Heavy Atom Count:

7

Hydrogen Bond Acceptor Count:

1

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

102.137g/mol

Monoisotopic Mass:

102.079g/mol

Rotatable Bond Count:

0

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

0

Undefined Bond Stereocenter Count:

0

XLogP3:

-0.4

Literature

Title	Journal
Trimethylurea.	Acta crystallographica. Section C, Crystal structure communications 20120301
Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.	The journal of physical chemistry. A 20100902
Medium effect on the rotational barrier of N,N,N'-trimethylurea and N,N,N'-trimethylthiourea: experimental and theoretical study.	The journal of physical chemistry. A 20100610
S-oxygenation of thiocarbamides II: Oxidation of trimethylthiourea by chlorite and chlorine dioxide.	The journal of physical chemistry. A 20050217

Properties