CS-0893065
2-(3-Chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)acetonitrile
Manufacturer: ChemScene
CAS Number: 2972631-83-5
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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
C₉H₁₁ClN₄
Molecular Weight
210.66
Synonyms
None
SMILES
N#CCC1=NN2C(CNCCC2)=C1Cl
Tpsa
53.64
Logp
1.09588
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: C₉H₁₁ClN₄
Molecular Weight: 210.66
Synonyms: None
SMILES: N#CCC1=NN2C(CNCCC2)=C1Cl
Tpsa: 53.64
Logp: 1.09588
H Acceptors: 4
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:
C₉H₁₁ClN₄
Molecular Weight:
210.66
Synonyms:
None
SMILES:
N#CCC1=NN2C(CNCCC2)=C1Cl
Tpsa:
53.64
Logp:
1.09588
H Acceptors:
4
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: C₇H₁₆N₂O₂S
Molecular Weight: 192.28
Synonyms: (R)-1-[1-(Methylsulfonyl)-3-piperidinyl]methanamine
SMILES: NC[C@@H]1CN(S(=O)(C)=O)CCC1
Tpsa: 63.4
Logp: -0.3833
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:
C₇H₁₆N₂O₂S
Molecular Weight:
192.28
Synonyms:
(R)-1-[1-(Methylsulfonyl)-3-piperidinyl]methanamine
SMILES:
NC[C@@H]1CN(S(=O)(C)=O)CCC1
Tpsa:
63.4
Logp:
-0.3833
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: C₂₁H₃₁BFNO₄
Molecular Weight: 391.28
Synonyms: None
SMILES: O=C(N1CCC2=CC(B3OC(C)(C)C(C)(C)O3)=CC(F)=C2CC1)OC(C)(C)C
Tpsa: 48
Logp: 3.4606
H Acceptors: 4
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:
C₂₁H₃₁BFNO₄
Molecular Weight:
391.28
Synonyms:
None
SMILES:
O=C(N1CCC2=CC(B3OC(C)(C)C(C)(C)O3)=CC(F)=C2CC1)OC(C)(C)C
Tpsa:
48
Logp:
3.4606
H Acceptors:
4
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: C₇H₁₇ClN₂O₂S
Molecular Weight: 228.74
Synonyms: (R)-1-[1-(Methylsulfonyl)-3-piperidinyl]methanamine (hydrochloride)
SMILES: NC[C@@H]1CN(S(=O)(C)=O)CCC1.Cl
Tpsa: 63.4
Logp: 0.0385
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:
C₇H₁₇ClN₂O₂S
Molecular Weight:
228.74
Synonyms:
(R)-1-[1-(Methylsulfonyl)-3-piperidinyl]methanamine (hydrochloride)
SMILES:
NC[C@@H]1CN(S(=O)(C)=O)CCC1.Cl
Tpsa:
63.4
Logp:
0.0385
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2