(3-((Methylamino)methyl)phenyl)boronic acid
Basic information
- CAS
1146614-39-2- Standard SMILES
CNCc1cccc(B(O)O)c1- InChIKey
XHGVRVGSIBKWNH-UHFFFAOYSA-N- Molecular formula
- C8H12BNO2
- Average molar mass
- 165 g/mol
- Monoisotopic mass
- 165.0961088
Names & identifiers
- Preferred name
- (3-((Methylamino)methyl)phenyl)boronic acid
- IUPAC
- [3-(methylaminomethyl)phenyl]boronic acid
- English name
- 3-((MethylaMino)Methyl)phenylboronic acid
- Molecular formula
- C8H12BNO2
- Molecular weight
- 165
Names & synonyms
1146614-39-2(3-((Methylamino)methyl)phenyl)boronic acid3-Methylaminomethyl-phenylboronic acid[3-(methylaminomethyl)phenyl]boronic acidMFCD18453453Boronic acid, B-[3-[(methylamino)methyl]phenyl]-3-((MethylaMino)Methyl)phenylboronic acid{3-[(Methylamino)methyl]phenyl}boronic acid3-[(METHYLAMINO)METHYL]PHENYLBORONIC ACIDSCHEMBL3724201DTXSID00676289AKOS006372275
Show more names
SB76306BS-42678(3-((Methylamino)methyl)phenyl)boronicacidCS-0176089D71704EN300-2512031F694281
Database identifiers
- CAS
1146614-39-2- PubChem CID
- 46785555
- DTXSID
DTXSID00676289
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 328.9 · 328.9±44.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.01 · 8.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(3-((Methylamino)methyl)phenyl)boronic Acid (cas# 1146614-39-2) is a useful reagent for preparing a regulator of nitrogen-containing heteroaromatic derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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