CS-0551972
3-(Benzylamino)azepan-2-one
Manufacturer: ChemScene
CAS Number: 13147-86-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₈N₂O
Molecular Weight
218.29
Synonyms
3-(Benzylamino)hexahydro-2H-azepin-2-one
SMILES
C1CCNC(=O)C(C1)NCC2=CC=CC=C2
Tpsa
41.13
Logp
1.4449
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O
Molecular Weight: 218.29
Synonyms: 3-(Benzylamino)hexahydro-2H-azepin-2-one
SMILES: C1CCNC(=O)C(C1)NCC2=CC=CC=C2
Tpsa: 41.13
Logp: 1.4449
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O
Molecular Weight:
218.29
Synonyms:
3-(Benzylamino)hexahydro-2H-azepin-2-one
SMILES:
C1CCNC(=O)C(C1)NCC2=CC=CC=C2
Tpsa:
41.13
Logp:
1.4449
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈FNO₃
Molecular Weight: 209.17
Synonyms: 8-Fluoro-2-oxo-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid
SMILES: O=C(C1CC(NC2=C1C=CC=C2F)=O)O
Tpsa: 66.4
Logp: 1.3361
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈FNO₃
Molecular Weight:
209.17
Synonyms:
8-Fluoro-2-oxo-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid
SMILES:
O=C(C1CC(NC2=C1C=CC=C2F)=O)O
Tpsa:
66.4
Logp:
1.3361
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂F₂O
Molecular Weight: 198.21
Synonyms: 1-(2,5-Difluorophenyl)-2-pentanone
SMILES: CCCC(=O)CC1=C(C=CC(=C1)F)F
Tpsa: 17.07
Logp: 2.8765
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂F₂O
Molecular Weight:
198.21
Synonyms:
1-(2,5-Difluorophenyl)-2-pentanone
SMILES:
CCCC(=O)CC1=C(C=CC(=C1)F)F
Tpsa:
17.07
Logp:
2.8765
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂Cl₂O
Molecular Weight: 231.12
Synonyms: 1-(2,6-Dichlorophenyl)-2-pentanone
SMILES: CCCC(=O)CC1=C(C=CC=C1Cl)Cl
Tpsa: 17.07
Logp: 3.9051
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂Cl₂O
Molecular Weight:
231.12
Synonyms:
1-(2,6-Dichlorophenyl)-2-pentanone
SMILES:
CCCC(=O)CC1=C(C=CC=C1Cl)Cl
Tpsa:
17.07
Logp:
3.9051
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4