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

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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ChemScene

CS-0184956

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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

Img

ChemScene

CS-0184957

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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

Img

ChemScene

CS-0184958

--


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

Img

ChemScene

CS-0184959

--


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