CS-1001991
8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Manufacturer: ChemScene
CAS Number: 170727-68-1
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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
C₂₀H₂₃ClN₂
Molecular Weight
326.86
Synonyms
None
SMILES
ClC1=CC=C2C(=C1)CCC3=CC=CN=C3C2C4CCN(C)CC4
Tpsa
16.13
Logp
4.3073
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₂₃ClN₂
Molecular Weight: 326.86
Synonyms: None
SMILES: ClC1=CC=C2C(=C1)CCC3=CC=CN=C3C2C4CCN(C)CC4
Tpsa: 16.13
Logp: 4.3073
H Acceptors: 2
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:
C₂₀H₂₃ClN₂
Molecular Weight:
326.86
Synonyms:
None
SMILES:
ClC1=CC=C2C(=C1)CCC3=CC=CN=C3C2C4CCN(C)CC4
Tpsa:
16.13
Logp:
4.3073
H Acceptors:
2
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: C₂₀H₁₉F₆NO₂
Molecular Weight: 419.36
Synonyms: None
SMILES: O([C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC=CC=C3
Tpsa: 30.49
Logp: 5.489
H Acceptors: 3
H Donors: 1
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:
C₂₀H₁₉F₆NO₂
Molecular Weight:
419.36
Synonyms:
None
SMILES:
O([C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC=CC=C3
Tpsa:
30.49
Logp:
5.489
H Acceptors:
3
H Donors:
1
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: C₁₈H₂₁NO₂
Molecular Weight: 283.36
Synonyms: None
SMILES: O=C(NC=1C=CC=CC1CC=2C=CC=CC2)COC(C)C
Tpsa: 38.33
Logp: 3.6409
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁NO₂
Molecular Weight:
283.36
Synonyms:
None
SMILES:
O=C(NC=1C=CC=CC1CC=2C=CC=CC2)COC(C)C
Tpsa:
38.33
Logp:
3.6409
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₉N₅O₄S
Molecular Weight: 543.64
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CN(C(OCC5=CC=CC=C5)=O)C4)C=C1)C6=CC=C(C)C=C6
Tpsa: 98.8
Logp: 4.99162
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₉N₅O₄S
Molecular Weight:
543.64
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CN(C(OCC5=CC=CC=C5)=O)C4)C=C1)C6=CC=C(C)C=C6
Tpsa:
98.8
Logp:
4.99162
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
6