CS-0159239
tert-Butyl (1S,4S)-5-oxo-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
Manufacturer: ChemScene
CAS Number: 635298-68-9
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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
C₁₁H₁₅NO₃
Molecular Weight
209.24
Synonyms
(1S,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-5-en-2-one
SMILES
O=C1[C@@H]2C=C[C@@H](N2C(OC(C)(C)C)=O)C1
Tpsa
46.61
Logp
1.5033
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: C₁₁H₁₅NO₃
Molecular Weight: 209.24
Synonyms: (1S,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-5-en-2-one
SMILES: O=C1[C@@H]2C=C[C@@H](N2C(OC(C)(C)C)=O)C1
Tpsa: 46.61
Logp: 1.5033
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:
C₁₁H₁₅NO₃
Molecular Weight:
209.24
Synonyms:
(1S,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-5-en-2-one
SMILES:
O=C1[C@@H]2C=C[C@@H](N2C(OC(C)(C)C)=O)C1
Tpsa:
46.61
Logp:
1.5033
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98+%
MDL No: MFCD24468878
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO₃
Molecular Weight: 223.27
Synonyms: 8-Azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
SMILES: O=C(N(C1C2)C(C=C1)CC2=O)OC(C)(C)C
Tpsa: 46.61
Logp: 1.8934
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98+%
MDL No:
MFCD24468878
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇NO₃
Molecular Weight:
223.27
Synonyms:
8-Azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
SMILES:
O=C(N(C1C2)C(C=C1)CC2=O)OC(C)(C)C
Tpsa:
46.61
Logp:
1.8934
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆F₃N₅O₅
Molecular Weight: 415.32
Synonyms: None
SMILES: OC[C@@H]1[C@@H](O)C[C@H](N2C(N=C(N)NC3=O)=C3C(C#CCNC(C(F)(F)F)=O)=C2)O1
Tpsa: 155.49
Logp: -1.0225
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₆F₃N₅O₅
Molecular Weight:
415.32
Synonyms:
None
SMILES:
OC[C@@H]1[C@@H](O)C[C@H](N2C(N=C(N)NC3=O)=C3C(C#CCNC(C(F)(F)F)=O)=C2)O1
Tpsa:
155.49
Logp:
-1.0225
H Acceptors:
8
H Donors:
5
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: C₁₂H₁₉NO₃
Molecular Weight: 225.28
Synonyms: None
SMILES: O=C(N1[C@H]2C[C@H](O)C[C@@H]1C=C2)OC(C)(C)C
Tpsa: 49.77
Logp: 2.3213
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₉NO₃
Molecular Weight:
225.28
Synonyms:
None
SMILES:
O=C(N1[C@H]2C[C@H](O)C[C@@H]1C=C2)OC(C)(C)C
Tpsa:
49.77
Logp:
2.3213
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0