CS-0644372
tert-Butyl (1S,5S)-1-(cyanomethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Manufacturer: ChemScene
CAS Number: 2852765-96-7
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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
C₁₃H₂₁N₃O₂
Molecular Weight
251.32
Synonyms
None
SMILES
O=C(N1[C@@]2(CC#N)CNC[C@]1([H])CC2)OC(C)(C)C
Tpsa
65.36
Logp
1.64158
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: C₁₃H₂₁N₃O₂
Molecular Weight: 251.32
Synonyms: None
SMILES: O=C(N1[C@@]2(CC#N)CNC[C@]1([H])CC2)OC(C)(C)C
Tpsa: 65.36
Logp: 1.64158
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:
C₁₃H₂₁N₃O₂
Molecular Weight:
251.32
Synonyms:
None
SMILES:
O=C(N1[C@@]2(CC#N)CNC[C@]1([H])CC2)OC(C)(C)C
Tpsa:
65.36
Logp:
1.64158
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: C₁₃H₂₁N₃O₂
Molecular Weight: 251.32
Synonyms: None
SMILES: O=C(N1[C@]2(CC#N)CNC[C@@]1([H])CC2)OC(C)(C)C
Tpsa: 65.36
Logp: 1.64158
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:
C₁₃H₂₁N₃O₂
Molecular Weight:
251.32
Synonyms:
None
SMILES:
O=C(N1[C@]2(CC#N)CNC[C@@]1([H])CC2)OC(C)(C)C
Tpsa:
65.36
Logp:
1.64158
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: C₁₃H₂₄N₂O₃
Molecular Weight: 256.34
Synonyms: None
SMILES: O=C(N1C2(COC)CNCC1CC2)OC(C)(C)C
Tpsa: 50.8
Logp: 1.3743
H Acceptors: 4
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:
C₁₃H₂₄N₂O₃
Molecular Weight:
256.34
Synonyms:
None
SMILES:
O=C(N1C2(COC)CNCC1CC2)OC(C)(C)C
Tpsa:
50.8
Logp:
1.3743
H Acceptors:
4
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: C₁₀H₁₃ClN₂O₅S
Molecular Weight: 308.74
Synonyms: 7-ACA (hydrochloride)
SMILES: OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2N)([H])N1C2=O)=O.Cl
Tpsa: 109.93
Logp: -0.4476
H Acceptors: 6
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:
C₁₀H₁₃ClN₂O₅S
Molecular Weight:
308.74
Synonyms:
7-ACA (hydrochloride)
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2N)([H])N1C2=O)=O.Cl
Tpsa:
109.93
Logp:
-0.4476
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3