Basic information
- CAS
1021016-53-4- Standard SMILES
CN(C)CC1CNc2ccccc2O1- InChIKey
SXSPDHMTKDSZBO-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- (3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)dimethylamine
- IUPAC
- 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N,N-dimethylmethanamine
- English name
- (3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)dimethylamine
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
1021016-53-4(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)dimethylamine[(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methyl]dimethylamine1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N,N-dimethylmethanamineSCHEMBL29199612WQB01653AKOS000262639AKOS016904527CS-0231359EN300-108075Z3352892501-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N,N-dimethyl-methanamine
Show more names
2H-1,4-Benzoxazine-2-methanamine, 3,4-dihydro-N,N-dimethyl-
Database identifiers
- CAS
1021016-53-4- PubChem CID
- 21063043
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 298.942 · 298.942±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.37 · 8.370±0.28(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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