Basic information
- CAS
22993-71-1- Standard SMILES
O=C1CCCCCN1C1=NCCCCC1- InChIKey
HARNDXDNXFIUHK-UHFFFAOYSA-N- Molecular formula
- C12H20N2O
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.15756327
Names & identifiers
- Preferred name
- 2H-Azepin-2-one, hexahydro-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
- IUPAC
- 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azepan-2-one
- English name
- Aminocaproic Acid Impurity 1
- Molecular formula
- C12H20N2O
- Molecular weight
- 208.3
Names & synonyms
22993-71-12H-Azepin-2-one, hexahydro-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-DTXSID20343749RefChem:268434DTXCID002948261-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azepan-2-oneAminocaproic Acid Impurity GAminocaproic Acid Impurity 1SCHEMBL13879055HARNDXDNXFIUHK-UHFFFAOYSA-N1-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)-2-azepanone #Aminocaproic acid Impurity 1Q: What is Aminocaproic acid Impurity 1 Q: What is the CAS Number of Aminocaproic acid Impurity 1
Database identifiers
- CAS
22993-71-1- PubChem CID
- 591990
- DTXSID
DTXSID20343749- Nikkaji
- J2.401.107K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 31 · 31-32 °C(Solv: hexane (110-54-3))
- Boiling point
- 105 · 105-106 °C(Press: 0.15 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 8.09 · 8.09±0.20(Predicted)
Chemistry & industry
Suppliers10 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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