CS-0905629
rel-(3aR,7aR)-2-Benzyl-octahydro-pyrrolo[3,4-c]pyridine dihydrochloride
Manufacturer: ChemScene
CAS Number: 1217686-56-0
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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
C₁₄H₂₂Cl₂N₂
Molecular Weight
289.24
Synonyms
rel-(3aR,7aR)-2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride
SMILES
[H][C@]12CNCC[C@@]1([H])CN(CC3=CC=CC=C3)C2.Cl.Cl
Tpsa
15.27
Logp
2.5715
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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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: C₁₄H₂₂Cl₂N₂
Molecular Weight: 289.24
Synonyms: rel-(3aR,7aR)-2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride
SMILES: [H][C@]12CNCC[C@@]1([H])CN(CC3=CC=CC=C3)C2.Cl.Cl
Tpsa: 15.27
Logp: 2.5715
H Acceptors: 2
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:
C₁₄H₂₂Cl₂N₂
Molecular Weight:
289.24
Synonyms:
rel-(3aR,7aR)-2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride
SMILES:
[H][C@]12CNCC[C@@]1([H])CN(CC3=CC=CC=C3)C2.Cl.Cl
Tpsa:
15.27
Logp:
2.5715
H Acceptors:
2
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: C₅H₁₀O₅S₂
Molecular Weight: 214.26
Synonyms: None
SMILES: O=S(OCC1CS(=O)(C1)=O)(C)=O
Tpsa: 77.51
Logp: -0.9928
H Acceptors: 5
H Donors: 0
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:
C₅H₁₀O₅S₂
Molecular Weight:
214.26
Synonyms:
None
SMILES:
O=S(OCC1CS(=O)(C1)=O)(C)=O
Tpsa:
77.51
Logp:
-0.9928
H Acceptors:
5
H Donors:
0
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: C₁₄H₂₀N₂
Molecular Weight: 216.32
Synonyms: rel-(3aR,7aR)-2-Benzyl-octahydro-pyrrolo[3,4-c]pyridine
SMILES: [H][C@]12CNCC[C@@]1([H])CN(CC3=CC=CC=C3)C2
Tpsa: 15.27
Logp: 1.7279
H Acceptors: 2
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:
C₁₄H₂₀N₂
Molecular Weight:
216.32
Synonyms:
rel-(3aR,7aR)-2-Benzyl-octahydro-pyrrolo[3,4-c]pyridine
SMILES:
[H][C@]12CNCC[C@@]1([H])CN(CC3=CC=CC=C3)C2
Tpsa:
15.27
Logp:
1.7279
H Acceptors:
2
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: C₁₈H₂₂N₂
Molecular Weight: 266.38
Synonyms: None
SMILES: CC(C)CC(/N=C(C=C/1)/C=CC1=N/C2=CC=CC=C2)C
Tpsa: 24.72
Logp: 4.7607
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂N₂
Molecular Weight:
266.38
Synonyms:
None
SMILES:
CC(C)CC(/N=C(C=C/1)/C=CC1=N/C2=CC=CC=C2)C
Tpsa:
24.72
Logp:
4.7607
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4