Basic information
- CAS
159459-52-6- Standard SMILES
CC(N)c1ccc2c(c1)NC(=O)CO2- InChIKey
IDOFUCXHAUJAEQ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- 6-(1-aminoethyl)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-(1-aminoethyl)-4H-1,4-benzoxazin-3-one
- English name
- 6-(1-Aminoethyl)-2H-1,4-benzoxazin-3(4H)-one
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
159459-52-66-(1-aminoethyl)-2H-1,4-benzoxazin-3(4H)-one6-(1-Aminoethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one6-(1-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one6-(1-Amino-ethyl)-4H-benzo[1,4]oxazin-3-one6-(1-aminoethyl)-4H-1,4-benzoxazin-3-one2H-1,4-Benzoxazin-3(4H)-one, 6-(1-aminoethyl)-SCHEMBL3703323SCHEMBL29793805IDOFUCXHAUJAEQ-UHFFFAOYSA-NAKOS009115155SB31418
Show more names
SB31466SB33979DB-263683EN300-35764G44437(+/-)-6-(1-aminoethyl)-4H-benzo[1,4]oxazin-3-oneZ228586424
Database identifiers
- CAS
159459-52-6
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 387.6 · 387.6±42.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.20(Predicted)
Chemistry & industry
Suppliers5 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…