CS-0895585
1-Acetyl-7-formyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
Manufacturer: ChemScene
CAS Number: 2969140-51-8
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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
C₁₃H₁₃N₃O₂
Molecular Weight
243.26
Synonyms
None
SMILES
N#CC1=CC(C=O)=C(N(CC2(C)C)C(C)=O)C2=N1
Tpsa
74.06
Logp
1.40988
H Acceptors
4
H Donors
0
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: C₁₃H₁₃N₃O₂
Molecular Weight: 243.26
Synonyms: None
SMILES: N#CC1=CC(C=O)=C(N(CC2(C)C)C(C)=O)C2=N1
Tpsa: 74.06
Logp: 1.40988
H Acceptors: 4
H Donors: 0
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:
C₁₃H₁₃N₃O₂
Molecular Weight:
243.26
Synonyms:
None
SMILES:
N#CC1=CC(C=O)=C(N(CC2(C)C)C(C)=O)C2=N1
Tpsa:
74.06
Logp:
1.40988
H Acceptors:
4
H Donors:
0
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: C₉H₁₀BrClN₂
Molecular Weight: 261.55
Synonyms: None
SMILES: CC1(C)CNC2=C(Br)C=C(Cl)N=C21
Tpsa: 24.92
Logp: 3.2006
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀BrClN₂
Molecular Weight:
261.55
Synonyms:
None
SMILES:
CC1(C)CNC2=C(Br)C=C(Cl)N=C21
Tpsa:
24.92
Logp:
3.2006
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂ClNO₃
Molecular Weight: 241.67
Synonyms: None
SMILES: O=C(C1=CC(Cl)=C(OCC2(C)C)C2=N1)OC
Tpsa: 48.42
Logp: 2.1916
H Acceptors: 4
H Donors: 0
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:
C₁₁H₁₂ClNO₃
Molecular Weight:
241.67
Synonyms:
None
SMILES:
O=C(C1=CC(Cl)=C(OCC2(C)C)C2=N1)OC
Tpsa:
48.42
Logp:
2.1916
H Acceptors:
4
H Donors:
0
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: C₁₂H₁₅NO₃
Molecular Weight: 221.25
Synonyms: None
SMILES: O=C(C1=CC(CO)=C(CCC2C)C2=N1)OC
Tpsa: 59.42
Logp: 1.4102
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:
C₁₂H₁₅NO₃
Molecular Weight:
221.25
Synonyms:
None
SMILES:
O=C(C1=CC(CO)=C(CCC2C)C2=N1)OC
Tpsa:
59.42
Logp:
1.4102
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2