CS-1157697
1-(Octahydropyrrolo[3,4-b]azepin-7(1H)-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 1316220-00-4
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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
C₁₀H₁₈N₂O
Molecular Weight
182.27
Synonyms
None
SMILES
O=C(N1CC2NCCCCC2C1)C
Tpsa
32.34
Logp
0.6068
H Acceptors
2
H Donors
1
Rotatable Bonds
0
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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: C₁₀H₁₈N₂O
Molecular Weight: 182.27
Synonyms: None
SMILES: O=C(N1CC2NCCCCC2C1)C
Tpsa: 32.34
Logp: 0.6068
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:
C₁₀H₁₈N₂O
Molecular Weight:
182.27
Synonyms:
None
SMILES:
O=C(N1CC2NCCCCC2C1)C
Tpsa:
32.34
Logp:
0.6068
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: C₁₂H₁₁N₃O
Molecular Weight: 213.24
Synonyms: None
SMILES: O=C1NCCNC=2C1=CN=C3C=CC=CC32
Tpsa: 54.02
Logp: 1.3901
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₁N₃O
Molecular Weight:
213.24
Synonyms:
None
SMILES:
O=C1NCCNC=2C1=CN=C3C=CC=CC32
Tpsa:
54.02
Logp:
1.3901
H Acceptors:
3
H Donors:
2
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: C₈H₇BrClNO
Molecular Weight: 248.50
Synonyms: None
SMILES: ClC=1C(Br)=CN=CC1OC2CC2
Tpsa: 22.12
Logp: 3.0387
H Acceptors: 2
H Donors: 0
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:
C₈H₇BrClNO
Molecular Weight:
248.50
Synonyms:
None
SMILES:
ClC=1C(Br)=CN=CC1OC2CC2
Tpsa:
22.12
Logp:
3.0387
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆F₄N₂
Molecular Weight: 194.13
Synonyms: None
SMILES: [C@@H](C(F)(F)F)(N)C1=C(F)C=CC=N1
Tpsa: 38.91
Logp: 1.7828
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆F₄N₂
Molecular Weight:
194.13
Synonyms:
None
SMILES:
[C@@H](C(F)(F)F)(N)C1=C(F)C=CC=N1
Tpsa:
38.91
Logp:
1.7828
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1