Ibuprofenamide

HCID 101072CAS 59512-17-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)Cc1ccc(C(C)C(N)=O)cc1
InChIKey
REUQKCDCQVNKLW-UHFFFAOYSA-N
Molecular formula
C13H19NO
Average molar mass
205.3 g/mol

Names & identifiers

Preferred name
Ibuprofenamide
IUPAC
2-[4-(2-methylpropyl)phenyl]propanamide
English name
rac-Ibuprofen amide
Molecular formula
C13H19NO
Molecular weight
205.3

Names & synonyms

59512-17-3Ibuprofenamide(2RS)-2-[4-(2-Methylpropyl)phenyl]propanamide2-(4-Isobutylphenyl)propionamideEINECS 261-793-974M0104F2JIBUPROFEN IMPURITY C [EP IMPURITY](2RS)-2-(4-(2-METHYLPROPYL)PHENYL)PROPANAMIDE.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETAMIDEIBUPROFEN IMPURITY C (EP IMPURITY)RefChem:789646(+-)-IBUPROFENAMIDE
Show more names
Ibuprofen-2IBUPROFEN IMP C(+/-)-IbuprofenamideIbuprofen IMpurity-C (EP)Ibuprofen Ph.Eur.impurity C
ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETAMIDEIBUPROFENAMIDE, (+-)-261-793-92-(4-isobutylphenyl)propanamide2-[4-(2-methylpropyl)phenyl]propanamideRAC-IBUPROFEN AMIDEIbuprofen EP Impurity CIbuprofen Impurity C

Database identifiers

CAS
59512-17-3
PubChem CID
101072
DTXSID
DTXSID10974925
ChEMBL
CHEMBL4754893
UNII
74M0104F2J
EC Number
261-793-9
Nikkaji
J298.177G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Melting point
110 · 110-114
Boiling point
356.1 · 356.1±21.0 °C(Predicted)
Density
0.994 · 0.994±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
hs_code
2924190090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn

Chemistry & industry

Applications

UsesAn impurity of Ibuprofen (I140000).

Upstream & downstream products

Suppliers50 total

天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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