CAS 6830-83-7 N,2,2-Trimethylpropanamide (HCID 138844)

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Basic information

CAS: 6830-83-7
Standard SMILES: CNC(=O)C(C)(C)C
InChIKey: QMKKJBRRKIKWFK-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: N,2,2-Trimethylpropanamide
IUPAC: N,2,2-trimethylpropanamide
English name: N-Methyltrimethylacetamide
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

6830-83-7N,2,2-Trimethylpropanamide2,2,N-TrimethylpropanamideDTXSID70218458RefChem:1090191DTXCID90140949N-MethyltrimethylacetamideN-MethylpivalamideMFCD000436432,2-dimethyl-N-methylpropanamideBAEN-methyl-pivalamide

Show more names

TIMTEC-BB SBB007942RARECHEM AQ A3 0035N,2,2-TRIMETHYLPROPIONAMIDEPropanamide, N,2,2-trimethyl-N-Methyltrimethylacetamide,96%N,2,2-Trimethylpropionamide, N-Methylpivalamide

NSC223053SCHEMBL114274SCHEMBL179521N,2,2-Trimethylpropanamide #SCHEMBL1513006SCHEMBL3271837CHEMBL4515313N-Methyltrimethylacetamide, 98%

Database identifiers

CAS: 6830-83-7
PubChem CID: 138844
DTXSID: DTXSID70218458
ChEMBL: CHEMBL4515313
EC Number: 806-283-4
Nikkaji: J567.244I

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 91

Physicochemical properties

Melting point: 86 · 86-91 °C(lit.)
Boiling point: 105 · 105-110°C 15mm
Density: 0.9837 · 0.9837 (rough estimate)
refractive index: 1.469 · 1.4690 (estimate)
Flash point: 105 · 105-110°C/15mm
pka: 16.61 · 16.61±0.46(Predicted)
BRN: 1744142 · 1744142
CAS DataBase Reference: 6830 · 6830-83-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-26
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.