N-Butyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

HCID 46738656CAS 874299-07-7

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Basic information

Standard SMILES
CCCCNC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey
DYBDTMCEAHKZHI-UHFFFAOYSA-N
Molecular formula
C17H27BN2O3
Average molar mass
318.226 g/mol
Monoisotopic mass
318.21147312

Names & identifiers

Preferred name
N-Butyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
IUPAC
N-Butyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
English name
1-butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
Molecular formula
C17H27BN2O3
Molecular weight
318.22

Names & synonyms

3-(3-Butylureido)phenylboronic acid, pinacol ester1-butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaUrea, N-butyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-butyl-3-(3-(4，4，5，5-tetramethyl-1，3，2-dioxypentylboronalkane-2-yl)phenyl)urea

Database identifiers

CAS
874299-07-7
PubChem CID
46738656
DTXSID
DTXSID50674316

Properties

Physicochemical properties

Boiling point
426.2 · 426.2±37.0 °C(Predicted)
Density
1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
14.14 · 14.14±0.46(Predicted)
Symbol(GHS)
7 · GHS07,GHS08
Signal word
Danger

Safety & regulation

Safety data

hs_code
2931900090
Signal word
Danger
Symbol(GHS)
GHS07,GHS08
Hazard statements
H304-H332
Precautionary statements
P261-P271-P301+P310+P331-P304+P340+P312-P405-P501

Chemistry & industry

Suppliers17 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]

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