CS-1085494
(3S,4aR,7aR)-3-amino-1-(4,4-dimethylpent-1-en-2-yl)octahydro-7H-pyrrolo[3,4-b]pyridin-7-one
Manufacturer: ChemScene
CAS Number: 2940868-76-6
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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
C₁₄H₂₅N₃O
Molecular Weight
251.37
Synonyms
None
SMILES
C(CC(C)(C)C)(=C)N1[C@@]2([C@@](CNC2=O)(C[C@H](N)C1)[H])[H]
Tpsa
58.36
Logp
1.0839
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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: C₁₄H₂₅N₃O
Molecular Weight: 251.37
Synonyms: None
SMILES: C(CC(C)(C)C)(=C)N1[C@@]2([C@@](CNC2=O)(C[C@H](N)C1)[H])[H]
Tpsa: 58.36
Logp: 1.0839
H Acceptors: 3
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:
C₁₄H₂₅N₃O
Molecular Weight:
251.37
Synonyms:
None
SMILES:
C(CC(C)(C)C)(=C)N1[C@@]2([C@@](CNC2=O)(C[C@H](N)C1)[H])[H]
Tpsa:
58.36
Logp:
1.0839
H Acceptors:
3
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: C₁₄H₂₈N₂O₂
Molecular Weight: 256.38
Synonyms: None
SMILES: C(C)(C)[C@@H]1[C@H](CN)CCN(C(OC(C)(C)C)=O)C1
Tpsa: 55.56
Logp: 2.4743
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:
C₁₄H₂₈N₂O₂
Molecular Weight:
256.38
Synonyms:
None
SMILES:
C(C)(C)[C@@H]1[C@H](CN)CCN(C(OC(C)(C)C)=O)C1
Tpsa:
55.56
Logp:
2.4743
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: C₁₃H₂₄N₂O₄
Molecular Weight: 272.34
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](CC(OC)=O)CNC1
Tpsa: 76.66
Logp: 1.0523
H Acceptors: 5
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:
C₁₃H₂₄N₂O₄
Molecular Weight:
272.34
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](CC(OC)=O)CNC1
Tpsa:
76.66
Logp:
1.0523
H Acceptors:
5
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: C₁₄H₂₀FNO₃S
Molecular Weight: 301.38
Synonyms: None
SMILES: C(N1[C@H](COS(CC)(=O)=O)C[C@@H](F)C1)C2=CC=CC=C2
Tpsa: 46.61
Logp: 1.9653
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀FNO₃S
Molecular Weight:
301.38
Synonyms:
None
SMILES:
C(N1[C@H](COS(CC)(=O)=O)C[C@@H](F)C1)C2=CC=CC=C2
Tpsa:
46.61
Logp:
1.9653
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6