2-Chloro-N-(2,6-diisopropylphenyl)acetamide

HCID 2363774
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Basic information

CAS
20781-86-6
Standard SMILES
CC(C)c1cccc(C(C)C)c1NC(=O)CCl
InChIKey
SQSUDYRMZQRNEX-UHFFFAOYSA-N
Molecular formula
C14H20ClNO
Average molar mass
253.77 g/mol
Monoisotopic mass
253.12334194

Names & identifiers

Preferred name
2-Chloro-N-(2,6-diisopropylphenyl)acetamide
IUPAC
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
English name
2-Chloro-N-(2,6-diisopropyl-phenyl)-acetamide
Molecular formula
C14H20ClNO
Molecular weight
253.77

Names & synonyms

20781-86-62-Chloro-N-(2,6-diisopropylphenyl)acetamideDTXSID50368268RefChem:259271DTXCID00319306N-[2,6-bis(propan-2-yl)phenyl]-2-chloroacetamide2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamideAcetamide, N-[2,6-bis(1-methylethyl)phenyl]-2-chloro-N-[2,6-bis(methylethyl)phenyl]-2-chloroacetamideMLS001003930SCHEMBL190379CHEMBL1310360
Show more names
2-Chloro-N-(2,6-diisopropyl-phenyl)-acetamide
SQSUDYRMZQRNEX-UHFFFAOYSA-NHMS2692P04SBB042396STL033066AKOS0002707602',6'-Diisopropyl-2-chlor-acetanilidN-(Chloroacetyl)-2,6-diisopropylanilineNCGC00661186-01

Database identifiers

CAS
20781-86-6
PubChem CID
2363774
DTXSID
DTXSID50368268
ChEMBL
CHEMBL1310360

Properties

Computed structural properties

XLogP
3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
149 · 149-150 °C(Solv: ethanol (64-17-5))
Boiling point
367.7 · 367.7±42.0 °C(Predicted)
Density
1.084 · 1.084±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
12.83 · 12.83±0.70(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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