3-Ureidophenylboronic acid pincol ester

HCID 178788446CAS 1201657-84-2
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Basic information

Standard SMILES
CC1(C)OB(c2cccc(NC(N)=O)c2)OC1(C)C
InChIKey
UJZINFWQGAGUNY-UHFFFAOYSA-N
Molecular formula
C13H19BN2O3
Average molar mass
262.11 g/mol

Names & identifiers

Preferred name
3-Ureidophenylboronic acid pincol ester
IUPAC
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
English name
3-Ureidophenylboronic acid pincol ester
Molecular formula
C13H19BN2O3
Molecular weight
262.11

Names & synonyms

1201657-84-23-Ureidophenylboronic acid pincol ester1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaMFCD18383950[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaSCHEMBL11908777AKOS025293850AS-55298CS-0177581A11939EN300-3070650F869670
Show more names
Urea, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[3-(4，4，5，5-tetramethyl-1，3，2-dioxyboronalkane-2-yl)phenyl]urea
[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaZ2049763283N-[3-(4455-Tetramethyl-132-dioxaborolan-2-yl)phenyl]ureaN-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Database identifiers

CAS
1201657-84-2

Properties

Computed structural properties

Topological polar surface area
73.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19

Physicochemical properties

Boiling point
387.3 · 387.3±25.0 °C(Predicted)
Density
1.14 · 1.14±0.1 g/cm3(Predicted)
pka
14.52 · 14.52±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H332

Safety & regulation

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Suppliers12 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]

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