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Basic information
- CAS
397843-69-5- Standard SMILES
CC(C)NC(=O)c1cccc(B(O)O)c1- InChIKey
QDCRYXCSQKAWNM-UHFFFAOYSA-N- Molecular formula
- C10H14BNO3
- Average molar mass
- 207.04 g/mol
- Monoisotopic mass
- 207.1066735
Names & identifiers
- Preferred name
- 3-(N-Isopropylaminocarbonyl)benzeneboronic acid
- IUPAC
- [3-(propan-2-ylcarbamoyl)phenyl]boronic acid
- English name
- [3-(N-Isopropylaminocarbonyl)phenyl]boronic acid
- Molecular formula
- C10H14BNO3
- Molecular weight
- 207.03
Names & synonyms
397843-69-53-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID3-(isopropylcarbamoyl)phenylboronic acid3-(Isopropylcarbamoyl)benzeneboronic acid3-(N-Isopropylaminocarbonyl)phenylboronic acid[3-(propan-2-ylcarbamoyl)phenyl]boronic AcidMFCD04115690(3-(Isopropylcarbamoyl)phenyl)boronic acid[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid[3-(isopropylcarbamoyl)phenyl]boronic acid{3-[(propan-2-yl)carbamoyl]phenyl}boronic acidSCHEMBL177725
Show more names
3-(Isopropylcarbamoyl)benzeneboronic3-(Isopropylcarbamoyl)benzeneboronicacid95%3-(Isopropylcarbamoyl)benzeneboronic acid 95%[3-[oxo-(propan-2-ylamino)methyl]phenyl]boronic acidBoronic acid, B-[3-[[(1-methylethyl)amino]carbonyl]phenyl]-Boronic acid, [3-[[(1-methylethyl)amino]carbonyl]phenyl]- (9CI)
DTXSID50397371QDCRYXCSQKAWNM-UHFFFAOYSA-NAKOS005256310AB20404PS-96403-(isopropylcarbamoyl)phenyl boronic acidSY102499DB-010500
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 252 · 252-260
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers41 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄德科达化工有限公司0311-67790228 15531158659 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
3 records
Compound notes
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