CS-0914572
(S,E)-methyl 2-(5-(cyanoimino)-1-propylpyrrolidin-2-yl)acetate
Manufacturer: ChemScene
CAS Number: 1373869-91-0
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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
C₁₁H₁₇N₃O₂
Molecular Weight
223.27
Synonyms
None
SMILES
C(CC)N\1[C@H](CC(OC)=O)CC/C1=N\C#N
Tpsa
65.69
Logp
1.30348
H Acceptors
4
H Donors
0
Rotatable Bonds
4
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇N₃O₂
Molecular Weight: 223.27
Synonyms: None
SMILES: C(CC)N\1[C@H](CC(OC)=O)CC/C1=N\C#N
Tpsa: 65.69
Logp: 1.30348
H Acceptors: 4
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:
C₁₁H₁₇N₃O₂
Molecular Weight:
223.27
Synonyms:
None
SMILES:
C(CC)N\1[C@H](CC(OC)=O)CC/C1=N\C#N
Tpsa:
65.69
Logp:
1.30348
H Acceptors:
4
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: C₂₂H₂₉BrO₅
Molecular Weight: 453.37
Synonyms: None
SMILES: Br[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 94.83
Logp: 2.3211
H Acceptors: 5
H Donors: 3
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:
C₂₂H₂₉BrO₅
Molecular Weight:
453.37
Synonyms:
None
SMILES:
Br[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
94.83
Logp:
2.3211
H Acceptors:
5
H Donors:
3
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: C₂₂H₂₈BrFO₅
Molecular Weight: 471.36
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(C[C@@H](Br)C=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 94.83
Logp: 2.2691
H Acceptors: 5
H Donors: 3
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:
C₂₂H₂₈BrFO₅
Molecular Weight:
471.36
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)[C@@H](C)C3)[H])(C[C@@H](Br)C=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
94.83
Logp:
2.2691
H Acceptors:
5
H Donors:
3
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: C₂₂H₂₉FO₅
Molecular Weight: 392.46
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@H](C(C(O)=O)O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 94.83
Logp: 2.6649
H Acceptors: 4
H Donors: 3
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:
C₂₂H₂₉FO₅
Molecular Weight:
392.46
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@H](C(C(O)=O)O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
94.83
Logp:
2.6649
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2