Basic information
- CAS
874291-02-8- Standard SMILES
CC(C)NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
GMMSXWMQBQDLFH-UHFFFAOYSA-N- Molecular formula
- C16H25BN2O3
- Average molar mass
- 304.2 g/mol
- Monoisotopic mass
- 304.19582306
Names & identifiers
- Preferred name
- 1-Isopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
- IUPAC
- 1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- English name
- 4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%4-(3-isopropylureido)benzeneboronic acid, pinacol ester
- Molecular formula
- C16H25BN2O3
- Molecular weight
- 304.19
Names & synonyms
874291-02-81-Isopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaMFCD086895174-(3-Isopropylureido)phenylboronic acid, pinacol ester1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester1-Isopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea3-(propan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaurea,N-(1-methylethy)-N-(4-(4,4,5,5,-Tetramethyl-1,3,2-dioxaborolan-2-yl)pheny)A862603DTXSID50657SCHEMBL441226
Show more names
4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER4-[(Isopropylcarbamoyl)amino]benzeneboronicacid,pinacolester98%4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%Urea, N-(1-methylethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%4-(3-isopropylureido)benzeneboronic acid, pinacol ester
4-(3-Isopropylureido)phenylboronic acid pinacol esterDTXSID50657184GMMSXWMQBQDLFH-UHFFFAOYSA-NAKOS016001001AS-55264F217369N-(Propan-2-yl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaN-Propan-2-yl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Database identifiers
- CAS
874291-02-8- PubChem CID
- 44119376
- DTXSID
DTXSID50657184
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 234 · 234-236
- Boiling point
- 401.3 · 401.3±37.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 13.8 · 13.80±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
天津雅特生物科技有限公司022-66200236 18622210341
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
1 records
Compound notes
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