CS-0914365
(S)-3-methyl-1-((3aR,4R,6R,7aS)-3a,5,5-trimethylhexahydro-4,6- methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine 2,2,2- trifluoroacetic acid salt
Manufacturer: ChemScene
CAS Number: 2363753-29-9
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₂₉BF₃NO₄
Molecular Weight
379.22
Synonyms
None
SMILES
C(C(O)=O)(F)(F)F.C[C@@]12[C@]3(C(C)(C)[C@](C3)(C[C@@]1(OB([C@@H](CC(C)C)N)O2)[H])[H])[H]
Tpsa
81.78
Logp
3.2606
H Acceptors
4
H Donors
2
Rotatable Bonds
3
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₉BF₃NO₄
Molecular Weight: 379.22
Synonyms: None
SMILES: C(C(O)=O)(F)(F)F.C[C@@]12[C@]3(C(C)(C)[C@](C3)(C[C@@]1(OB([C@@H](CC(C)C)N)O2)[H])[H])[H]
Tpsa: 81.78
Logp: 3.2606
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₉BF₃NO₄
Molecular Weight:
379.22
Synonyms:
None
SMILES:
C(C(O)=O)(F)(F)F.C[C@@]12[C@]3(C(C)(C)[C@](C3)(C[C@@]1(OB([C@@H](CC(C)C)N)O2)[H])[H])[H]
Tpsa:
81.78
Logp:
3.2606
H Acceptors:
4
H Donors:
2
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: C₃₂H₂₈F₄N₆O₆S₂
Molecular Weight: 732.72
Synonyms: None
SMILES: FC(F)OC1=CC=2N=C(SCC3=NC=CC(OC)=C3OC)NC2C=C1C=4C=C5NC(=NC5=CC4OC(F)F)SCC6=NC=CC(OC)=C6OC
Tpsa: 138.52
Logp: 7.718
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₈F₄N₆O₆S₂
Molecular Weight:
732.72
Synonyms:
None
SMILES:
FC(F)OC1=CC=2N=C(SCC3=NC=CC(OC)=C3OC)NC2C=C1C=4C=C5NC(=NC5=CC4OC(F)F)SCC6=NC=CC(OC)=C6OC
Tpsa:
138.52
Logp:
7.718
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₀F₄N₄O₂S₂
Molecular Weight: 430.40
Synonyms: None
SMILES: FC(F)OC1=CC=2NC(=S)NC2C=C1C=3C=C4NC(=S)NC4=CC3OC(F)F
Tpsa: 81.62
Logp: 5.63418
H Acceptors: 4
H Donors: 4
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:
C₁₆H₁₀F₄N₄O₂S₂
Molecular Weight:
430.40
Synonyms:
None
SMILES:
FC(F)OC1=CC=2NC(=S)NC2C=C1C=3C=C4NC(=S)NC4=CC3OC(F)F
Tpsa:
81.62
Logp:
5.63418
H Acceptors:
4
H Donors:
4
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: C₁₆H₁₅FN₂O₄
Molecular Weight: 318.30
Synonyms: None
SMILES: O=C1C=2C3=C(C(=C(F)C2)C4(N)CC4)OC[C@@H](C)N3C=C1C(O)=O
Tpsa: 94.55
Logp: 1.74
H Acceptors: 5
H Donors: 2
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:
C₁₆H₁₅FN₂O₄
Molecular Weight:
318.30
Synonyms:
None
SMILES:
O=C1C=2C3=C(C(=C(F)C2)C4(N)CC4)OC[C@@H](C)N3C=C1C(O)=O
Tpsa:
94.55
Logp:
1.74
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2