Basic information
- CAS
4781-76-4- Standard SMILES
NCC1=CCCCO1- InChIKey
DVOBWGYOTJOCAJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 2H-Pyran, 3,4-dihydro-2-aminomethyl-
- IUPAC
- 3,4-dihydro-2H-pyran-6-ylmethanamine
- English name
- (3,4-Dihydro-2H-pyran-2-yl)-methylamine
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
NSC 81216BRN 13627972H-Pyran, 3,4-dihydro-2-aminomethyl-2H-Pyran-2-methanamine, 3,4-dihydro-2H-Pyran-2-methylamine, 3,4-dihydro-4H-Pyran, 2-aminomethyl-2,3-dihydro-5-18-09-00511 (Beilstein Handbook Reference)RefChem:2688182H-Pyran-2-methanamine, 3,4-dihydro-(9CI)2H-Pyran-2-methylamine, 3,4-dihydro-(8CI)2-Aminomethyl-2,3-dihydro-4H-pyran2-Aminomethyl-3,4-dihydro-2H-pyran
Show more names
NISTC47817643,4-dihydro-2-aminomethyl-2h-pyra3,4-Dihydro-2H-pyran-2-methanamine3,4-Dihydro-2H-pyran-2-methylamine
4781-76-4(3,4-Dihydro-2H-pyran-6-yl)methanamine7180-00-9starbld0039670SCHEMBL2670130DVOBWGYOTJOCAJ-UHFFFAOYSA-NDTXSID6010322782-aminomethyl-5,6-dihydro-4H-pyran
Database identifiers
- CAS
4781-76-4- PubChem CID
- 78508
- DTXSID
DTXSID601032278
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.7
Physicochemical properties
- Boiling point
- 211.9 °C · 211.9°C (rough estimate)
- Density
- 1.0223 · 1.0223 (rough estimate)
- refractive index
- 1.421 · 1.4210 (estimate)
- pka
- 9.34 · 9.34±0.29(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers7 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
Loading…