CS-0546849
(9H-fluoren-9-yl)methyl 4-oxoazepane-1-carboxylate
Manufacturer: ChemScene
CAS Number: 885954-56-3
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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
C₂₁H₂₁NO₃
Molecular Weight
335.40
Synonyms
1H-Azepine-1-carboxylic acid, hexahydro-4-oxo-, 9H-fluoren-9-ylmethyl ester
SMILES
C1CC(=O)CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Tpsa
46.61
Logp
3.9905
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: C₂₁H₂₁NO₃
Molecular Weight: 335.40
Synonyms: 1H-Azepine-1-carboxylic acid, hexahydro-4-oxo-, 9H-fluoren-9-ylmethyl ester
SMILES: C1CC(=O)CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Tpsa: 46.61
Logp: 3.9905
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁NO₃
Molecular Weight:
335.40
Synonyms:
1H-Azepine-1-carboxylic acid, hexahydro-4-oxo-, 9H-fluoren-9-ylmethyl ester
SMILES:
C1CC(=O)CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Tpsa:
46.61
Logp:
3.9905
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃N₃O₂
Molecular Weight: 267.28
Synonyms: 3-methyl-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: O=C1NN=C(C)N1C2=CC=C(OC3=CC=CC=C3)C=C2
Tpsa: 59.91
Logp: 2.66132
H Acceptors: 4
H Donors: 1
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:
C₁₅H₁₃N₃O₂
Molecular Weight:
267.28
Synonyms:
3-methyl-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
O=C1NN=C(C)N1C2=CC=C(OC3=CC=CC=C3)C=C2
Tpsa:
59.91
Logp:
2.66132
H Acceptors:
4
H Donors:
1
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: C₂₁H₁₉N₃O₃
Molecular Weight: 361.39
Synonyms: None
SMILES: CCC1=NC2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O
Tpsa: 72.27
Logp: 2.6452
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₉N₃O₃
Molecular Weight:
361.39
Synonyms:
None
SMILES:
CCC1=NC2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O
Tpsa:
72.27
Logp:
2.6452
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄ClNO₂
Molecular Weight: 287.74
Synonyms: 4-(4-[(6-CHLORO-3-PYRIDINYL)METHOXY]PHENYL)-3-BUTEN-2-ONE
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)OCC2=CN=C(C=C2)Cl
Tpsa: 39.19
Logp: 3.9162
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄ClNO₂
Molecular Weight:
287.74
Synonyms:
4-(4-[(6-CHLORO-3-PYRIDINYL)METHOXY]PHENYL)-3-BUTEN-2-ONE
SMILES:
CC(=O)/C=C/C1=CC=C(C=C1)OCC2=CN=C(C=C2)Cl
Tpsa:
39.19
Logp:
3.9162
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5