N-tert-Butylformamide - CAS 2425-74-3

Name: N-tert-Butylformamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018391
Product Name:	N-tert-Butylformamide
CAS:	2425-74-3
Synonyms:	N-tert-butylformamide

Technical Data

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Computed Properties

IUPAC Name:	N-tert-butylformamide
Description:	N-tert-Butylformamide (CAS# 2425-74-3 ) is a useful research chemical.
Molecular Weight:	101.15
Molecular Formula:	C5H11NO
Canonical SMILES:	CC(C)(C)NC=O
InChI:	InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
InChI Key:	SDLAKRCBYGZJRW-UHFFFAOYSA-N
Boiling Point:	103 °C (12 torr)
Density:	0.903 g/mL at 25 °C(lit.)
Solubility:	Sol in water and common hydrocarbon solvents.
Appearance:	Colorless liquid
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00003277
LogP:	1.55770
Vapor Pressure:	0.27 [mmHg]

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

Publication Number	Title	Priority Date
WO-2021158698-A1	Muscarinic receptor 4 antagonists and methods of use	20200205
CN-111116423-A	Process method for preparing tert-butyl isocyano	20191230
CN-110845475-A	Preparation method of loratadine impurity	20191225
WO-2021077164-A1	Catalysts or catalytic systems comprising liquid metals and uses thereof	20191021
WO-2021069924-A1	Composition and method	20191011

PMID	Publication Date	Title	Journal
19920894	20090206	Induction of cytotoxicity, apoptosis and cell cycle arrest by 1-t-butyl carbamoyl, 7-methyl-indole-3-ethyl isothiocyanate (NB7M) in nervous system cancer cells	Drug design, development and therapy
21202657	20080524	Di-tert-butyl N,N'-(octa-hydro-penta-lene-2,5-di-yl)dicarbamate	Acta crystallographica. Section E, Structure reports online
16366639	20051229	Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations	The journal of physical chemistry. A

Complexity:	63
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.084063974
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5