CS-0540681
Tert-butyl 6-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.1.1]Heptane-3-carboxylate
Manufacturer: ChemScene
CAS Number: 1310718-99-0
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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
C₁₂H₁₇F₃N₂O₃
Molecular Weight
294.27
Synonyms
3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
SMILES
O=C(N1CC(C2)N(C(C(F)(F)F)=O)C2C1)OC(C)(C)C
Tpsa
49.85
Logp
1.7689
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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: C₁₂H₁₇F₃N₂O₃
Molecular Weight: 294.27
Synonyms: 3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
SMILES: O=C(N1CC(C2)N(C(C(F)(F)F)=O)C2C1)OC(C)(C)C
Tpsa: 49.85
Logp: 1.7689
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇F₃N₂O₃
Molecular Weight:
294.27
Synonyms:
3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CC(C2)N(C(C(F)(F)F)=O)C2C1)OC(C)(C)C
Tpsa:
49.85
Logp:
1.7689
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₄S
Molecular Weight: 298.36
Synonyms: 1-Azetidinecarboxylic acid, 3-[(dimethylamino)sulfonyl]-, phenylmethyl ester
SMILES: CN(C)S(=O)(=O)C1CN(C1)C(=O)OCC2=CC=CC=C2
Tpsa: 66.92
Logp: 0.8988
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₄S
Molecular Weight:
298.36
Synonyms:
1-Azetidinecarboxylic acid, 3-[(dimethylamino)sulfonyl]-, phenylmethyl ester
SMILES:
CN(C)S(=O)(=O)C1CN(C1)C(=O)OCC2=CC=CC=C2
Tpsa:
66.92
Logp:
0.8988
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄BrN₃O₂
Molecular Weight: 242.03
Synonyms: None
SMILES: O=C1OC(C2=NC=C(Br)C=C2)=NN1
Tpsa: 71.78
Logp: 1.1874
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:
C₇H₄BrN₃O₂
Molecular Weight:
242.03
Synonyms:
None
SMILES:
O=C1OC(C2=NC=C(Br)C=C2)=NN1
Tpsa:
71.78
Logp:
1.1874
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: C₇H₁₄N₂O
Molecular Weight: 142.20
Synonyms: None
SMILES: O=C([C@H]1C[C@H](N)C1)N(C)C
Tpsa: 46.33
Logp: -0.1881
H Acceptors: 2
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:
C₇H₁₄N₂O
Molecular Weight:
142.20
Synonyms:
None
SMILES:
O=C([C@H]1C[C@H](N)C1)N(C)C
Tpsa:
46.33
Logp:
-0.1881
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1