CS-0895794
Ethyl 3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Manufacturer: ChemScene
CAS Number: 1779538-83-8
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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
C₁₀H₁₄ClN₃O₂
Molecular Weight
243.69
Synonyms
None
SMILES
O=C(C1=NN2C(CNCCC2)=C1Cl)OCC
Tpsa
56.15
Logp
1.2065
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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
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: C₁₀H₁₄ClN₃O₂
Molecular Weight: 243.69
Synonyms: None
SMILES: O=C(C1=NN2C(CNCCC2)=C1Cl)OCC
Tpsa: 56.15
Logp: 1.2065
H Acceptors: 5
H Donors: 1
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:
C₁₀H₁₄ClN₃O₂
Molecular Weight:
243.69
Synonyms:
None
SMILES:
O=C(C1=NN2C(CNCCC2)=C1Cl)OCC
Tpsa:
56.15
Logp:
1.2065
H Acceptors:
5
H Donors:
1
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: C₆H₁₁ClN₂O₃
Molecular Weight: 194.62
Synonyms: 2-Piperazinecarboxylicacid,6-oxo-,methylester(9CI) (hydrochloride)
SMILES: O=C1NC(CNC1)C(OC)=O.Cl
Tpsa: 67.43
Logp: -1.3308
H Acceptors: 4
H Donors: 2
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:
C₆H₁₁ClN₂O₃
Molecular Weight:
194.62
Synonyms:
2-Piperazinecarboxylicacid,6-oxo-,methylester(9CI) (hydrochloride)
SMILES:
O=C1NC(CNC1)C(OC)=O.Cl
Tpsa:
67.43
Logp:
-1.3308
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: ≥95%
MDL No: MFCD30188086
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂ClN₃O
Molecular Weight: 189.64
Synonyms: Vildagliptin impurity 12 hydrochloride
SMILES: N#C[C@H]1N(CCC1)C(CN)=O.Cl
Tpsa: 70.12
Logp: -0.11852
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
MFCD30188086
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂ClN₃O
Molecular Weight:
189.64
Synonyms:
Vildagliptin impurity 12 hydrochloride
SMILES:
N#C[C@H]1N(CCC1)C(CN)=O.Cl
Tpsa:
70.12
Logp:
-0.11852
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: C₇H₁₁Cl₂FN₂
Molecular Weight: 213.08
Synonyms: None
SMILES: CNCC1=CC=C(F)N=C1.Cl.Cl
Tpsa: 24.92
Logp: 1.7837
H Acceptors: 2
H Donors: 1
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:
C₇H₁₁Cl₂FN₂
Molecular Weight:
213.08
Synonyms:
None
SMILES:
CNCC1=CC=C(F)N=C1.Cl.Cl
Tpsa:
24.92
Logp:
1.7837
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2