CS-0893060
tert-Butyl 3-chloro-2-(cyanomethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2972631-89-1
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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
C₁₄H₁₉ClN₄O₂
Molecular Weight
310.78
Synonyms
None
SMILES
N#CCC1=NN2C(CN(CCC2)C(OC(C)(C)C)=O)=C1Cl
Tpsa
71.15
Logp
2.74338
H Acceptors
5
H Donors
0
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
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: C₁₄H₁₉ClN₄O₂
Molecular Weight: 310.78
Synonyms: None
SMILES: N#CCC1=NN2C(CN(CCC2)C(OC(C)(C)C)=O)=C1Cl
Tpsa: 71.15
Logp: 2.74338
H Acceptors: 5
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:
C₁₄H₁₉ClN₄O₂
Molecular Weight:
310.78
Synonyms:
None
SMILES:
N#CCC1=NN2C(CN(CCC2)C(OC(C)(C)C)=O)=C1Cl
Tpsa:
71.15
Logp:
2.74338
H Acceptors:
5
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: C₁₃H₂₀ClN₃O₃
Molecular Weight: 301.77
Synonyms: None
SMILES: O=C(N1CC2=C(Cl)C(CO)=NN2CCC1)OC(C)(C)C
Tpsa: 67.59
Logp: 2.1696
H Acceptors: 5
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:
C₁₃H₂₀ClN₃O₃
Molecular Weight:
301.77
Synonyms:
None
SMILES:
O=C(N1CC2=C(Cl)C(CO)=NN2CCC1)OC(C)(C)C
Tpsa:
67.59
Logp:
2.1696
H Acceptors:
5
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: C₄H₁₂ClNO₂
Molecular Weight: 141.60
Synonyms: None
SMILES: OC[C@H](OC)CN.Cl
Tpsa: 55.48
Logp: -0.6258
H Acceptors: 3
H Donors: 2
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:
C₄H₁₂ClNO₂
Molecular Weight:
141.60
Synonyms:
None
SMILES:
OC[C@H](OC)CN.Cl
Tpsa:
55.48
Logp:
-0.6258
H Acceptors:
3
H Donors:
2
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: C₆H₁₀O₃
Molecular Weight: 130.14
Synonyms: None
SMILES: OC1(CC2OC2)COC1
Tpsa: 41.99
Logp: -0.4634
H Acceptors: 3
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:
C₆H₁₀O₃
Molecular Weight:
130.14
Synonyms:
None
SMILES:
OC1(CC2OC2)COC1
Tpsa:
41.99
Logp:
-0.4634
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2