CS-0129026
tert-Butyl 8-bromo-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 851045-04-0
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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
C₁₅H₁₈BrNO₃
Molecular Weight
340.21
Synonyms
1H-1-Benzazepine-1-carboxylic acid, 8-bromo-2,3,4,5-tetrahydro-5-oxo-, 1,1-dimethylethyl ester
SMILES
O=C1CCCN(C(OC(C)(C)C)=O)C2=CC(Br)=CC=C21
Tpsa
46.61
Logp
4.1671
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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: C₁₅H₁₈BrNO₃
Molecular Weight: 340.21
Synonyms: 1H-1-Benzazepine-1-carboxylic acid, 8-bromo-2,3,4,5-tetrahydro-5-oxo-, 1,1-dimethylethyl ester
SMILES: O=C1CCCN(C(OC(C)(C)C)=O)C2=CC(Br)=CC=C21
Tpsa: 46.61
Logp: 4.1671
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈BrNO₃
Molecular Weight:
340.21
Synonyms:
1H-1-Benzazepine-1-carboxylic acid, 8-bromo-2,3,4,5-tetrahydro-5-oxo-, 1,1-dimethylethyl ester
SMILES:
O=C1CCCN(C(OC(C)(C)C)=O)C2=CC(Br)=CC=C21
Tpsa:
46.61
Logp:
4.1671
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇ClO₃
Molecular Weight: 280.75
Synonyms: None
SMILES: CC(C)(C)C(OC1CCC(C2=C1C=C(Cl)C=C2)=O)=O
Tpsa: 43.37
Logp: 3.9469
H Acceptors: 3
H Donors: 0
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:
C₁₅H₁₇ClO₃
Molecular Weight:
280.75
Synonyms:
None
SMILES:
CC(C)(C)C(OC1CCC(C2=C1C=C(Cl)C=C2)=O)=O
Tpsa:
43.37
Logp:
3.9469
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD22375357
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₂₀ClNO₂
Molecular Weight: 209.71
Synonyms: Octanoic acid, 8-amino-, methyl ester, hydrochloride
SMILES: O=C(OC)CCCCCCCN.[H]Cl
Tpsa: 52.32
Logp: 1.8805
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD22375357
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₂₀ClNO₂
Molecular Weight:
209.71
Synonyms:
Octanoic acid, 8-amino-, methyl ester, hydrochloride
SMILES:
O=C(OC)CCCCCCCN.[H]Cl
Tpsa:
52.32
Logp:
1.8805
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₂ClNO₂
Molecular Weight: 223.74
Synonyms: None
SMILES: O=C(OC)CCCCCCCCN.[H]Cl
Tpsa: 52.32
Logp: 2.2706
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₂ClNO₂
Molecular Weight:
223.74
Synonyms:
None
SMILES:
O=C(OC)CCCCCCCCN.[H]Cl
Tpsa:
52.32
Logp:
2.2706
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
8