CS-0541696
(1R,2R,5S,6S)-tert-Butyl 4-oxo-3-azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylate
Manufacturer: ChemScene
CAS Number: 871357-90-3
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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
C₁₃H₁₇NO₃
Molecular Weight
235.28
Synonyms
3-Azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester, (1R,2R,5S,6S)- (9CI)
SMILES
CC(C)(C)OC(N1[C@@]2([H])[C@](C1=O)([H])[C@H]3C[C@@H]2C=C3)=O
Tpsa
46.61
Logp
1.9544
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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: 3-Azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester, (1R,2R,5S,6S)- (9CI)
SMILES: CC(C)(C)OC(N1[C@@]2([H])[C@](C1=O)([H])[C@H]3C[C@@H]2C=C3)=O
Tpsa: 46.61
Logp: 1.9544
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
3-Azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester, (1R,2R,5S,6S)- (9CI)
SMILES:
CC(C)(C)OC(N1[C@@]2([H])[C@](C1=O)([H])[C@H]3C[C@@H]2C=C3)=O
Tpsa:
46.61
Logp:
1.9544
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: MFCD11847474
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇NOS
Molecular Weight: 141.19
Synonyms: Ethanone, 1-(5-amino-2-thienyl)- (9CI)
SMILES: O=C(C)C1=CC=C(N)S1
Tpsa: 43.09
Logp: 1.5329
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
MFCD11847474
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇NOS
Molecular Weight:
141.19
Synonyms:
Ethanone, 1-(5-amino-2-thienyl)- (9CI)
SMILES:
O=C(C)C1=CC=C(N)S1
Tpsa:
43.09
Logp:
1.5329
H Acceptors:
3
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: C₉H₅NO₃
Molecular Weight: 175.14
Synonyms: None
SMILES: N#CC1=CC=C(C(C(O)=O)=C1)C=O
Tpsa: 78.16
Logp: 1.06898
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:
C₉H₅NO₃
Molecular Weight:
175.14
Synonyms:
None
SMILES:
N#CC1=CC=C(C(C(O)=O)=C1)C=O
Tpsa:
78.16
Logp:
1.06898
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: C₁₆H₂₃F₄NO₄
Molecular Weight: 369.35
Synonyms: None
SMILES: O=C(O)C(NC(OC(C)(C)C)=O)C(C1CC(F)(F)C1)C2CC(F)(F)C2
Tpsa: 75.63
Logp: 3.6711
H Acceptors: 3
H Donors: 2
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:
C₁₆H₂₃F₄NO₄
Molecular Weight:
369.35
Synonyms:
None
SMILES:
O=C(O)C(NC(OC(C)(C)C)=O)C(C1CC(F)(F)C1)C2CC(F)(F)C2
Tpsa:
75.63
Logp:
3.6711
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5