Acetoacetobenzylamide

HCID 70159
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Basic information

CAS
882-36-0
Standard SMILES
CC(=O)CC(=O)NCc1ccccc1
InChIKey
KOHNUEXAOQRRPI-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Monoisotopic mass
191.09462866

Names & identifiers

Preferred name
Acetoacetobenzylamide
IUPAC
N-benzyl-3-oxobutanamide
English name
N-Benzylacetoacetamide
Molecular formula
C11H13NO2
Molecular weight
191.23

Names & synonyms

N-BenzylacetoacetamideAcetoacetbenzylamideAcetoacetobenzylamideButanamide, 3-oxo-N-(phenylmethyl)-N-AcetoacetylbenzylamineAcetoacetamide, N-benzyl-T6Y9L5W6QOUNII-T6Y9L5W6QOEINECS 212-928-5NSC 60240NSC-60240DTXSID9061257
Show more names
BENZYLACETOACETAMIDEAAPCTACETOACET-BENZYLAMINE
3-OXO-N-(PHENYLMETHYL)BUTANAMIDERefChem:199346DTXCID0048632Acetoacetamide, N-benzyl-(8CI)n-benzyl-3-oxobutanamide882-36-0N-Benzyl-3-oxobutyramideBENZYL ACETOACETIC AMIDE

Database identifiers

CAS
882-36-0
PubChem CID
70159
DTXSID
DTXSID9061257
UNII
T6Y9L5W6QO
EC Number
212-928-5
Nikkaji
J195.177G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
103 °C · 103 °C
Boiling point
399.4 · 399.4±35.0 °C(Predicted)
Density
1.093 · 1.093±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
solubility
Acetone, Dichloromethane, Ethyl Acetate
form
Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H302 (97.5%): 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

Regulatory InformationChemical: Butanamide, 3-oxo-N-(phenylmethyl)-
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

tsca
TSCA listed
hs_code
2924297099
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanamide, 3-oxo-N-(phenylmethyl)-: ACTIVE

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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