CS-0529334
6,9-Dichloro-1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one
Manufacturer: ChemScene
CAS Number: 1577471-53-4
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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
C₉H₈Cl₂N₂O
Molecular Weight
231.08
Synonyms
None
SMILES
O=C1NCCNC2=C(Cl)C=CC(Cl)=C12
Tpsa
41.13
Logp
2.1487
H Acceptors
2
H Donors
2
Rotatable Bonds
0
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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: C₉H₈Cl₂N₂O
Molecular Weight: 231.08
Synonyms: None
SMILES: O=C1NCCNC2=C(Cl)C=CC(Cl)=C12
Tpsa: 41.13
Logp: 2.1487
H Acceptors: 2
H Donors: 2
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:
C₉H₈Cl₂N₂O
Molecular Weight:
231.08
Synonyms:
None
SMILES:
O=C1NCCNC2=C(Cl)C=CC(Cl)=C12
Tpsa:
41.13
Logp:
2.1487
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁NO₂
Molecular Weight: 223.31
Synonyms: None
SMILES: CC(C)(C)OC(N[C@H]1CC[C@H](CC1)C#C)=O
Tpsa: 38.33
Logp: 2.7031
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₂
Molecular Weight:
223.31
Synonyms:
None
SMILES:
CC(C)(C)OC(N[C@H]1CC[C@H](CC1)C#C)=O
Tpsa:
38.33
Logp:
2.7031
H Acceptors:
2
H Donors:
1
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: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: None
SMILES: O=C([C@@H]1CCC(CO1)=O)OCC
Tpsa: 52.6
Logp: 0.2976
H Acceptors: 4
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:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
None
SMILES:
O=C([C@@H]1CCC(CO1)=O)OCC
Tpsa:
52.6
Logp:
0.2976
H Acceptors:
4
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: C₁₀H₁₃NO₃S
Molecular Weight: 227.28
Synonyms: None
SMILES: O=C(C1=C(SC)C=C(C)N=C1OC)OC
Tpsa: 48.42
Logp: 1.90712
H Acceptors: 5
H Donors: 0
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:
C₁₀H₁₃NO₃S
Molecular Weight:
227.28
Synonyms:
None
SMILES:
O=C(C1=C(SC)C=C(C)N=C1OC)OC
Tpsa:
48.42
Logp:
1.90712
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3