CS-0492365
(3S,4aR,8aR)-decahydroisoquinoline-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 136465-84-4
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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
C₁₀H₁₇NO₂
Molecular Weight
183.25
Synonyms
3-Isoquinolinecarboxylic acid, decahydro-, [3S-(3α,4aα,8aα)]- (9CI)
SMILES
OC(=O)[C@@H]1C[C@]2([H])[C@](CCCC2)([H])CN1
Tpsa
49.33
Logp
1.2393
H Acceptors
2
H Donors
2
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 136465-84-4 | (3S,4aR,8aR)-Decahydroisoquinoline-3-carboxylic Acid | A2B Chem | -- |
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: C₁₀H₁₇NO₂
Molecular Weight: 183.25
Synonyms: 3-Isoquinolinecarboxylic acid, decahydro-, [3S-(3α,4aα,8aα)]- (9CI)
SMILES: OC(=O)[C@@H]1C[C@]2([H])[C@](CCCC2)([H])CN1
Tpsa: 49.33
Logp: 1.2393
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:
C₁₀H₁₇NO₂
Molecular Weight:
183.25
Synonyms:
3-Isoquinolinecarboxylic acid, decahydro-, [3S-(3α,4aα,8aα)]- (9CI)
SMILES:
OC(=O)[C@@H]1C[C@]2([H])[C@](CCCC2)([H])CN1
Tpsa:
49.33
Logp:
1.2393
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: C₃₂H₃₂N₂O₆
Molecular Weight: 540.61
Synonyms: None
SMILES: O=C(NC[C@H](C(O)=O)CC1C2C(=CC=CC=2)N(C(=O)OC(C)(C)C)C=1)OCC3C4=C(C=CC=C4)C5C3=CC=CC=5
Tpsa: 106.86
Logp: 6.2065
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₂N₂O₆
Molecular Weight:
540.61
Synonyms:
None
SMILES:
O=C(NC[C@H](C(O)=O)CC1C2C(=CC=CC=2)N(C(=O)OC(C)(C)C)C=1)OCC3C4=C(C=CC=C4)C5C3=CC=CC=5
Tpsa:
106.86
Logp:
6.2065
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₄N₂O₂
Molecular Weight: 228.33
Synonyms: None
SMILES: NC[C@@H]1CN([C@H](C)CC1)C(=O)OC(C)(C)C
Tpsa: 55.56
Logp: 1.9807
H Acceptors: 3
H Donors: 1
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:
C₁₂H₂₄N₂O₂
Molecular Weight:
228.33
Synonyms:
None
SMILES:
NC[C@@H]1CN([C@H](C)CC1)C(=O)OC(C)(C)C
Tpsa:
55.56
Logp:
1.9807
H Acceptors:
3
H Donors:
1
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: C₉H₉F₂NO
Molecular Weight: 185.17
Synonyms: None
SMILES: FC1=C(F)C=C(C=C1)C2(N)COC2
Tpsa: 35.25
Logp: 1.149
H Acceptors: 2
H Donors: 1
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:
C₉H₉F₂NO
Molecular Weight:
185.17
Synonyms:
None
SMILES:
FC1=C(F)C=C(C=C1)C2(N)COC2
Tpsa:
35.25
Logp:
1.149
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1