CS-0184956
tert-Butyl (3R)-3-(1-hydroxy-1-methyl-ethyl)piperazine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 502546-05-6
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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
C₁₂H₂₄N₂O₃
Molecular Weight
244.33
Synonyms
None
SMILES
O=C(N1C[C@H](C(C)(O)C)NCC1)OC(C)(C)C
Tpsa
61.8
Logp
0.9662
H Acceptors
4
H Donors
2
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: C₁₂H₂₄N₂O₃
Molecular Weight: 244.33
Synonyms: None
SMILES: O=C(N1C[C@H](C(C)(O)C)NCC1)OC(C)(C)C
Tpsa: 61.8
Logp: 0.9662
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:
C₁₂H₂₄N₂O₃
Molecular Weight:
244.33
Synonyms:
None
SMILES:
O=C(N1C[C@H](C(C)(O)C)NCC1)OC(C)(C)C
Tpsa:
61.8
Logp:
0.9662
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀BrNO₃
Molecular Weight: 354.24
Synonyms: Upadacitinib intermediate5
SMILES: O=C(N1C[C@H](C(CBr)=O)[C@H](CC)C1)OCC2=CC=CC=C2
Tpsa: 46.61
Logp: 3.2452
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀BrNO₃
Molecular Weight:
354.24
Synonyms:
Upadacitinib intermediate5
SMILES:
O=C(N1C[C@H](C(CBr)=O)[C@H](CC)C1)OCC2=CC=CC=C2
Tpsa:
46.61
Logp:
3.2452
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₇F₂NO₂
Molecular Weight: 221.24
Synonyms: None
SMILES: O=C(N1C[C@H](C(F)F)CC1)OC(C)(C)C
Tpsa: 29.54
Logp: 2.5085
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:
C₁₀H₁₇F₂NO₂
Molecular Weight:
221.24
Synonyms:
None
SMILES:
O=C(N1C[C@H](C(F)F)CC1)OC(C)(C)C
Tpsa:
29.54
Logp:
2.5085
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: C₁₅H₂₂N₄O₄
Molecular Weight: 322.36
Synonyms: tert-butyl (S)-3-methyl-4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
SMILES: O=C(N1C[C@H](C)N(C2=CC=C([N+]([O-])=O)N=C2)CC1)OC(C)(C)C
Tpsa: 88.81
Logp: 2.4354
H Acceptors: 6
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:
C₁₅H₂₂N₄O₄
Molecular Weight:
322.36
Synonyms:
tert-butyl (S)-3-methyl-4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
SMILES:
O=C(N1C[C@H](C)N(C2=CC=C([N+]([O-])=O)N=C2)CC1)OC(C)(C)C
Tpsa:
88.81
Logp:
2.4354
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2