N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

HCID 736837
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Basic information

CAS
86847-64-5
Standard SMILES
CC(C)(C)C(=O)Nc1ncccc1C=O
InChIKey
ANABHCSYKASRRW-UHFFFAOYSA-N
Molecular formula
C11H14N2O2
Average molar mass
206.24 g/mol
Monoisotopic mass
206.10552769

Names & identifiers

Preferred name
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
IUPAC
N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
English name
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
Molecular formula
C11H14N2O2
Molecular weight
206.24

Names & synonyms

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamideRefChem:826591625-350-786847-64-5N-(3-formylpyridin-2-yl)pivalamideN-(3-formylpyridin-2-yl)-2,2-dimethylpropanamideN-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamideMFCD018301702-PIVALYLAMINO-PYRIDINE-3-CARBOXYALDEHYDEN-(3-formyl(2-pyridyl))-2,2-dimethylpropanamideSCHEMBL1375331DTXSID30353117
Show more names
N-(3-Formyl-2-pyridinyl)pivalamideN-(3-FORMYL-2-PYRIDINYL)-2,2-DIMETHYLPR&N-(3-Formyl-2-pyridinyl)- tert-butanamide2-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyden-(3-eormylpyridin-2-yl)-2,2-dimethylpropionamide
ANABHCSYKASRRW-UHFFFAOYSA-N3-formyl-2-(pivaloylamino)pyridineCS-M0436SBB093685AKOS000320285AB09960AS-35624BP-10381

Database identifiers

CAS
86847-64-5
PubChem CID
736837
DTXSID
DTXSID30353117
EC Number
625-350-7
Nikkaji
J329.300I

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
59.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
85 · 85-88°C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
Appearance
Light yellow to yellow Solid
Sensitive
Air Sensitive
InChI
1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (88.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
29333990
risk_code
36/37/38-43
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesReactant for:Preparation of disubstituted azaindolines

UsesReactant for:• ;Preparation of disubstituted azaindolines1

Upstream & downstream products

Suppliers55 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
安特希（苏州）生物科技有限公司19951207836
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

30 records
New reaction record

Compound notes

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