CS-0548997
(1,4-Diazepan-1-yl)(3-methylthiophen-2-yl)methanone hydrochloride
Manufacturer: ChemScene
CAS Number: 1420889-60-6
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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
C₁₁H₁₇ClN₂OS
Molecular Weight
260.78
Synonyms
None
SMILES
CC1=C(SC=C1)C(=O)N2CCCNCC2.Cl
Tpsa
32.34
Logp
1.91382
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₁₁H₁₇ClN₂OS
Molecular Weight: 260.78
Synonyms: None
SMILES: CC1=C(SC=C1)C(=O)N2CCCNCC2.Cl
Tpsa: 32.34
Logp: 1.91382
H Acceptors: 3
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:
C₁₁H₁₇ClN₂OS
Molecular Weight:
260.78
Synonyms:
None
SMILES:
CC1=C(SC=C1)C(=O)N2CCCNCC2.Cl
Tpsa:
32.34
Logp:
1.91382
H Acceptors:
3
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: C₁₅H₁₆Cl₂N₂
Molecular Weight: 295.21
Synonyms: 6-N-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
SMILES: C1CN(CC2=C1N=C(C=C2)Cl)CC3=CC=CC=C3.Cl
Tpsa: 16.13
Logp: 3.7151
H Acceptors: 2
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:
C₁₅H₁₆Cl₂N₂
Molecular Weight:
295.21
Synonyms:
6-N-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
SMILES:
C1CN(CC2=C1N=C(C=C2)Cl)CC3=CC=CC=C3.Cl
Tpsa:
16.13
Logp:
3.7151
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 95+%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₈ClN₅O₂
Molecular Weight: 477.99
Synonyms: EMD 68843 (Hydrochloride); SB659746A (Hydrochloride)
SMILES: NC(C1=CC2=C(C=CC(N3CCN(CCCCC4=CNC5=CC=C(C=C54)C#N)CC3)=C2)O1)=O.[H]Cl
Tpsa: 102.29
Logp: 4.45138
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
95+%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₈ClN₅O₂
Molecular Weight:
477.99
Synonyms:
EMD 68843 (Hydrochloride); SB659746A (Hydrochloride)
SMILES:
NC(C1=CC2=C(C=CC(N3CCN(CCCCC4=CNC5=CC=C(C=C54)C#N)CC3)=C2)O1)=O.[H]Cl
Tpsa:
102.29
Logp:
4.45138
H Acceptors:
5
H Donors:
2
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: C₁₉H₂₄BrNO₃
Molecular Weight: 394.30
Synonyms: methyl 4-{4-[(2-bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}butanoate
SMILES: O=C(OC)CCCC1=CC=C(NC2=C(Br)C(CC(C)(C)C2)=O)C=C1
Tpsa: 55.4
Logp: 4.5898
H Acceptors: 4
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:
C₁₉H₂₄BrNO₃
Molecular Weight:
394.30
Synonyms:
methyl 4-{4-[(2-bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}butanoate
SMILES:
O=C(OC)CCCC1=CC=C(NC2=C(Br)C(CC(C)(C)C2)=O)C=C1
Tpsa:
55.4
Logp:
4.5898
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6