Basic information
- CAS
210775-52-3- Standard SMILES
Nc1cccc(B2OCCCO2)c1- InChIKey
GBHALPQORITFRG-UHFFFAOYSA-N- Molecular formula
- C9H12BNO2
- Average molar mass
- 177.01 g/mol
- Monoisotopic mass
- 177.0961088
Names & identifiers
- Preferred name
- 3-(1,3,2-Dioxaborinan-2-yl)aniline
- IUPAC
- 3-(1,3,2-dioxaborinan-2-yl)aniline
- English name
- 3-[1,3,2]dioxaborinan-2-yl-phenylamine
- Molecular formula
- C9H12BNO2
- Molecular weight
- 177.01
Names & synonyms
3-(1,3,2-dioxaborinan-2-yl)aniline210775-52-3Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-MFCD20691209starbld00193863-[1,3,2]Dioxaborinan-2-yl-phenylamineSCHEMBL7738382DTXSID10460111BS-51644F72964F8622253-Aminobenzeneboronic acid 1,3-propanediol ester
Database identifiers
- CAS
210775-52-3- PubChem CID
- 11252307
- DTXSID
DTXSID10460111- Nikkaji
- J1.483.608J
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 368.6 · 368.6±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海苏为科新材料有限公司18896959461 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
苏州浩恒新材料有限公司15052381896; 15052381896 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…