CS-1005013
(11E)-6,11-Dihydro-11-[3-(methylamino)propylidene]dibenz[b,e]oxepin-2-acetic acid
Manufacturer: ChemScene
CAS Number: 849721-29-5
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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
C₂₀H₂₁NO₃
Molecular Weight
323.39
Synonyms
None
SMILES
C(\CCNC)=C\1/C=2C(OCC=3C1=CC=CC3)=CC=C(CC(O)=O)C2
Tpsa
58.56
Logp
3.2473
H Acceptors
3
H Donors
2
Rotatable Bonds
5
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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: C₂₀H₂₁NO₃
Molecular Weight: 323.39
Synonyms: None
SMILES: C(\CCNC)=C\1/C=2C(OCC=3C1=CC=CC3)=CC=C(CC(O)=O)C2
Tpsa: 58.56
Logp: 3.2473
H Acceptors: 3
H Donors: 2
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:
C₂₀H₂₁NO₃
Molecular Weight:
323.39
Synonyms:
None
SMILES:
C(\CCNC)=C\1/C=2C(OCC=3C1=CC=CC3)=CC=C(CC(O)=O)C2
Tpsa:
58.56
Logp:
3.2473
H Acceptors:
3
H Donors:
2
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: C₂₀H₂₃ClN₂O₆
Molecular Weight: 422.86
Synonyms: None
SMILES: O=C(OC)C1=C(NC(=C(C(=O)OCCCCCl)C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa: 107.77
Logp: 3.5648
H Acceptors: 7
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:
C₂₀H₂₃ClN₂O₆
Molecular Weight:
422.86
Synonyms:
None
SMILES:
O=C(OC)C1=C(NC(=C(C(=O)OCCCCCl)C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa:
107.77
Logp:
3.5648
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅N₃S
Molecular Weight: 339.50
Synonyms: None
SMILES: S1C=2C=CC=CC2N(C=3C=CC=CC13)CCCN4CCN(C)CC4
Tpsa: 9.72
Logp: 3.9268
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅N₃S
Molecular Weight:
339.50
Synonyms:
None
SMILES:
S1C=2C=CC=CC2N(C=3C=CC=CC13)CCCN4CCN(C)CC4
Tpsa:
9.72
Logp:
3.9268
H Acceptors:
4
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: C₉H₉NO₃
Molecular Weight: 179.17
Synonyms: None
SMILES: O=C1[C@]2([C@]([C@]3(C[C@@]2([C@]4([C@@]3(O4)[H])[H])[H])[H])(C(=O)N1)[H])[H]
Tpsa: 58.7
Logp: -0.7077
H Acceptors: 3
H Donors: 1
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:
C₉H₉NO₃
Molecular Weight:
179.17
Synonyms:
None
SMILES:
O=C1[C@]2([C@]([C@]3(C[C@@]2([C@]4([C@@]3(O4)[H])[H])[H])[H])(C(=O)N1)[H])[H]
Tpsa:
58.7
Logp:
-0.7077
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0