CS-1063942
2,3,3a,4,5,6-Hexahydro-1H-benzo[de]isoquinoline-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2591185-77-0
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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
C₁₃H₁₅NO₂
Molecular Weight
217.26
Synonyms
None
SMILES
O=C(O)C1NCC2C=3C(=CC=CC31)CCC2
Tpsa
49.33
Logp
1.8354
H Acceptors
2
H Donors
2
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: C₁₃H₁₅NO₂
Molecular Weight: 217.26
Synonyms: None
SMILES: O=C(O)C1NCC2C=3C(=CC=CC31)CCC2
Tpsa: 49.33
Logp: 1.8354
H Acceptors: 2
H Donors: 2
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:
C₁₃H₁₅NO₂
Molecular Weight:
217.26
Synonyms:
None
SMILES:
O=C(O)C1NCC2C=3C(=CC=CC31)CCC2
Tpsa:
49.33
Logp:
1.8354
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₆N₄O
Molecular Weight: 220.27
Synonyms: None
SMILES: O=C1NCC2(NCCC=3N=CN(C32)C)CC1
Tpsa: 58.95
Logp: -0.3289
H Acceptors: 4
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:
C₁₁H₁₆N₄O
Molecular Weight:
220.27
Synonyms:
None
SMILES:
O=C1NCC2(NCCC=3N=CN(C32)C)CC1
Tpsa:
58.95
Logp:
-0.3289
H Acceptors:
4
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: C₁₃H₁₅F₃N₂O
Molecular Weight: 272.27
Synonyms: None
SMILES: C[C@H]1C2(C=3C(=NC(C(F)(F)F)=CC3)CCN2)CCO1
Tpsa: 34.15
Logp: 2.2502
H Acceptors: 3
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:
C₁₃H₁₅F₃N₂O
Molecular Weight:
272.27
Synonyms:
None
SMILES:
C[C@H]1C2(C=3C(=NC(C(F)(F)F)=CC3)CCN2)CCO1
Tpsa:
34.15
Logp:
2.2502
H Acceptors:
3
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: C₁₆H₂₄N₂OS
Molecular Weight: 292.44
Synonyms: None
SMILES: O=C(C(=CN(C)C)C1(C=2SC=CC2CC(N1C)C)C)C
Tpsa: 23.55
Logp: 2.8742
H Acceptors: 4
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:
C₁₆H₂₄N₂OS
Molecular Weight:
292.44
Synonyms:
None
SMILES:
O=C(C(=CN(C)C)C1(C=2SC=CC2CC(N1C)C)C)C
Tpsa:
23.55
Logp:
2.8742
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3