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N-Butylmaleimide

HCID 239780
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
26714-90-9
Standard SMILES
CCCCN1C(=O)C=CC1=O
InChIKey
JNPCNDJVEUEFBO-UHFFFAOYSA-N
Molecular formula
C8H11NO2
Average molar mass
153.18 g/mol
Monoisotopic mass
153.07897859

Names & identifiers

Preferred name
N-Butylmaleimide
IUPAC
1-butylpyrrole-2,5-dione
English name
N-Butylmaleimide
Molecular formula
C8H11NO2
Molecular weight
153.18

Names & synonyms

N-Butylmaleimide2973-09-3RefChem:829440608-406-51-Butyl-1H-pyrrole-2,5-dione1-Butyl-pyrrole-2,5-dioneN-n-Butylmaleimide1-butylpyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-butyl-Maleimide, N-butyl-Maleic acid butylimideMFCD00042756
Show more names
N-Butylmaleinimide1-Butyl-3-pyrroline-2,5-dione
26714-90-91-butyl-2,5-dihydro-1H-pyrrole-2,5-dioneNSC-45298NSC45298NSC-407144N-Butylmaleimide, 98%1H-Pyrrole-2, 1-butyl-SCHEMBL59456

Database identifiers

CAS
26714-90-9、2973-09-3
PubChem CID
239780
DTXSID
DTXSID60949527
ChEMBL
CHEMBL1774757
UNII
YF736MDC48
EC Number
608-406-5
Nikkaji
J100.080B

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
190

Physicochemical properties

storage temp.
Inert atmosphere,Room Temperature
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
300 · H300-H311-H314-H317
Precautionary statements
501 · P501-P272-P260-P270-P264-P280-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
HS Code
2933998090 · 2933998090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2933998090
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
Hazard statements
H300-H311-H314-H317
Precautionary statements
P501-P272-P260-P270-P264-P280-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405

Related reactions

7 records
New reaction record
HRID 247608 reaction equation
HRID 247608As reactantuspto-grants-1987_11
HRID 247609 reaction equation
HRID 247609As reactantuspto-grants-1987_11
HRID 294843 reaction equation
HRID 294843As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 681077 reaction equation
HRID 681077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1263309 reaction equation
HRID 1263309As reactantuspto-grants-1984_06
HRID 2293309 reaction equation
HRID 2293309As reactantuspto-grants-1997_11
HRID 2293313 reaction equation
HRID 2293313As reactantuspto-grants-1997_11

Compound notes

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