Basic information
- CAS
19494-73-6- Standard SMILES
O=C1CCCCCN1C(=O)N1CCCCCC1=O- InChIKey
UHQZGWJEFFDHSR-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 1-(2-Oxoazepane-1-carbonyl)azepan-2-one
- IUPAC
- 1-(2-oxoazepane-1-carbonyl)azepan-2-one
- English name
- 1-(2-oxoazepane-1-carbonyl)azepan-2-one
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
1-(2-oxoazepane-1-carbonyl)azepan-2-one19494-73-62H-Azepin-2-one, 1,1'-carbonylbis[hexahydro-1,1'-Carbonylbis[1,3,4,5,6,7-hexahydro-2H-azepin-2-one]n,n'-carbonylbiscaprolactamSCHEMBL131845DTXSID204134161,1'-Carbonyldi(azepan-2-one)H568441,1 inverted exclamation marka-Carbonylbis[1,3,4,5,6,7-hexahydro-2H-azepin-2-one]CARBONYLBIS CAPROLACTUMN,N'-Carbonylbis(caprolactam)
Show more names
N,N-Carbonylbis caprolactam (CBC)1-(2-oxoazepane-1-carbonyl)azepan1-(Azepane-1-carbonyl)azepan-2-one1,1′-Carbonyldi[1,3,4,5,6,7-hexahydro-2H-azepin-2-one2H-Azepin-2-one, 1,1'-carbonylbis[1,3,4,5,6,7-hexahydro-1-(2-azabicyclo[2.2.1]heptan-1-carbonyl)azabicyclo[2.2.1]heptan-2-one
Database identifiers
- CAS
19494-73-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 381.154 · 381.154±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.28 g/cm³ · 1.28 g/cm³
- pka
- -1.934 · -1.934±0.20(predicted)
- InChI
- InChI=1S/C13H20N2O3/c16-11-7-3-1-5-9-14(11)13(18)15-10-6-2-4-8-12(15)17/h1-10H2
- InChIKey
- UHQZGWJEFFDHSR-UHFFFAOYSA-N
- SMILES
- C(N1CCCCCC1=O)(N1CCCCCC1=O)=O
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
重庆卡兰医药有限公司023-62879767 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
绵阳万迪诺医药科技有限公司15861805752，15681201579 18727934995
上海药克生物科技有限公司19943855286 · [email protected]
Related reactions
1 records
Compound notes
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