Acetamide, 2-cyano-N-methyl-N-[(methylamino)carbonyl]-

HCID 170228
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
39615-79-7
Standard SMILES
CNC(=O)N(C)C(=O)CC#N
InChIKey
DBEIAMRYPAJZHO-UHFFFAOYSA-N
Molecular formula
C6H9N3O2
Average molar mass
155.15 g/mol
Monoisotopic mass
155.06947653

Names & identifiers

Preferred name
Acetamide, 2-cyano-N-methyl-N-[(methylamino)carbonyl]-
IUPAC
2-cyano-N-methyl-N-(methylcarbamoyl)acetamide
English name
2-cyano-N-methyl-N-[(methylamino)carbonyl]acetamide
Molecular formula
C6H9N3O2
Molecular weight
155.15

Names & synonyms

39615-79-71,3-Dimethyl(cyanoacetyl)urea2-CYANO-N-METHYL-N-[(METHYLAMINO)CARBONYL]ACETAMIDEEINECS 254-541-4Acetamide, 2-cyano-N-methyl-N-((methylamino)carbonyl)-Acetamide, 2-cyano-N-methyl-N-[(methylamino)carbonyl]-2-Cyano-N-methyl-N-((methylamino)carbonyl)acetamideRefChem:551584254-541-4N,N'-Dimethyl-N-cyanoacetylurea2-cyano-n-methyl-n-(methylcarbamoyl)acetamide3-(2-CYANOACETYL)-1,3-DIMETHYLUREA
Show more names
RMA-593Urapidil Impurity 15Nicotinamide Impurity 1971,3-DIMETHYL CYANOACETYLUREA1,3-Dimethylcyanoacethylurea1-(Cyanoacetyl)-1,3-dimethylureaN-Methyl-N-(methylcarbamoyl)cyanoacetamideCyano-N-methyl-N-[(methylamino)carbonyl]acetamide
CyanoacetyldimethylureaCyanacetyldimethylharnstoffQA99LH8ETZSCHEMBL1032820DTXSID2068189N-(Cyanoacetyl)-N,N'-dimethylureaAKOS006278842DB-251443

Database identifiers

CAS
39615-79-7
PubChem CID
170228
DTXSID
DTXSID2068189
UNII
QA99LH8ETZ
EC Number
254-541-4
Nikkaji
J261.403K

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
73.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
77 ℃ · 77℃ (water )
Density
1.181 · 1.181±0.06 g/cm3 (20 ºC 760 Torr)
EPA Substance Registry System
N,N'-Dimethyl-N-cyanoacetylurea (39615-79-7)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, 2-cyano-N-methyl-N-[(methylamino)carbonyl]-: INACTIVE

Applications

Uses2-Cyano-N-methyl-N-[(methylamino)carbonyl]acetamide is an intermediate form of caffeine.

Upstream & downstream products

Upstream raw materials

Suppliers41 total

天津始加生物医药科技有限公司15022261580 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…