N-(1,1-Dimethyl-2-phenylethyl)formamide

HCID 104077

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Basic information

CAS: 52117-13-2
Standard SMILES: CC(C)(Cc1ccccc1)NC=O
InChIKey: VDURGCJDOKTFHJ-UHFFFAOYSA-N
Molecular formula: C11H15NO
Average molar mass: 177.24 g/mol
Monoisotopic mass: 177.1153641

Names & identifiers

Preferred name: N-(1,1-Dimethyl-2-phenylethyl)formamide
IUPAC: N-(2-methyl-1-phenylpropan-2-yl)formamide
English name: α,α-Dimethylphenethylformamide
Molecular formula: C11H15NO
Molecular weight: 177.24

Names & synonyms

N-(1,1-Dimethyl-2-phenylethyl)formamideDTXSID401279270RefChem:823295DTXCID60170986752117-13-2n-(2-methyl-1-phenylpropan-2-yl)formamideN-(alpha,alpha-Dimethylphenethyl)formamidea,a-Dimethylphenethylformamidealpha,alpha-DimethylphenethylformamideEINECS 257-667-8starbld0011804N-(1,1-dimethyl-2-phenyl-ethyl)-formamide

Show more names

α,α-DimethylphenethylformamideN-(α,α-DiMethylphenethyl)forMaMideN-(A,A-DIMETHYLPHENETHYL)FORMAMIDEN-ForMyl-α,α-diMethyl-β-phenethylaMine

LA4ZX7WA3BFormamide, N-(1,1-dimethyl-2-phenylethyl)-SCHEMBL165251SCHEMBL5255109VDURGCJDOKTFHJ-UHFFFAOYSA-NAKOS0062769512-Methyl-3-phenyl-2-N-formylaminopropaneDB-308711

Database identifiers

CAS: 52117-13-2
PubChem CID: 104077
DTXSID: DTXSID401279270
UNII: LA4ZX7WA3B
EC Number: 257-667-8
Nikkaji: J279.450K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 63 · 63-64 °C(Solv: cyclohexane (110-82-7))
Boiling point: 183 · 183-185 °C(Press: 15 Torr)
Density: 0.995 · 0.995±0.06 g/cm3(Predicted)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 16.34 · 16.34±0.23(Predicted)
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2924296000 · 2924296000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2924296000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Usesα,α-Dimethylphenethylformamide is a α,α-dimethylated N-formyl phenthylamine derivative. α,α-Dimethylphenethylformamide is used in the preparation of its N-methyl analogue which is a known sympathomimetic.