CS-0805222
(R)-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-trifluoroacetate
Manufacturer: ChemScene
CAS Number: 1610526-93-6
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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
C₁₇H₂₉BF₃NO₄
Molecular Weight
379.22
Synonyms
None
SMILES
CC(C)C[C@@H](B1O[C@](C[C@]2([H])C(C)(C)[C@@]3([H])C2)([H])[C@]3(C)O1)N.O=C(O)C(F)(F)F
Tpsa
81.78
Logp
3.2606
H Acceptors
4
H Donors
2
Rotatable Bonds
3
Related Products
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: C₁₇H₂₉BF₃NO₄
Molecular Weight: 379.22
Synonyms: None
SMILES: CC(C)C[C@@H](B1O[C@](C[C@]2([H])C(C)(C)[C@@]3([H])C2)([H])[C@]3(C)O1)N.O=C(O)C(F)(F)F
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:
C₁₇H₂₉BF₃NO₄
Molecular Weight:
379.22
Synonyms:
None
SMILES:
CC(C)C[C@@H](B1O[C@](C[C@]2([H])C(C)(C)[C@@]3([H])C2)([H])[C@]3(C)O1)N.O=C(O)C(F)(F)F
Tpsa:
81.78
Logp:
3.2606
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD25533232
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅F₅INO
Molecular Weight: 353.03
Synonyms: None
SMILES: CC1=CC(=C(C(=N1)I)OC(F)(F)F)C(F)F
Tpsa: 22.12
Logp: 3.83082
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD25533232
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅F₅INO
Molecular Weight:
353.03
Synonyms:
None
SMILES:
CC1=CC(=C(C(=N1)I)OC(F)(F)F)C(F)F
Tpsa:
22.12
Logp:
3.83082
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD25422321
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆F₅NO₃
Molecular Weight: 271.14
Synonyms: None
SMILES: COC1=NC=C(C(=C1C(=O)O)C(F)F)C(F)(F)F
Tpsa: 59.42
Logp: 2.7448
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD25422321
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆F₅NO₃
Molecular Weight:
271.14
Synonyms:
None
SMILES:
COC1=NC=C(C(=C1C(=O)O)C(F)F)C(F)(F)F
Tpsa:
59.42
Logp:
2.7448
H Acceptors:
3
H Donors:
1
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: C₂₁H₃₄BN₃O₄
Molecular Weight: 403.32
Synonyms: None
SMILES: O=C(N1C2CC(N3N=CC(B4OC(C)(C)C(C)(C)O4)=C3)CC1CC2)OC(C)(C)C
Tpsa: 65.82
Logp: 3.2853
H Acceptors: 6
H Donors: 0
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:
C₂₁H₃₄BN₃O₄
Molecular Weight:
403.32
Synonyms:
None
SMILES:
O=C(N1C2CC(N3N=CC(B4OC(C)(C)C(C)(C)O4)=C3)CC1CC2)OC(C)(C)C
Tpsa:
65.82
Logp:
3.2853
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2