CS-0790995
(2R,3aS,7aS)-Octahydroindole-2-carboxylic Acid Benzyl Ester
Manufacturer: ChemScene
CAS Number: 752955-02-5
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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
C₁₆H₂₁NO₂
Molecular Weight
259.34
Synonyms
None
SMILES
O=C([C@@H]1N[C@@]2([H])CCCC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa
38.33
Logp
2.6505
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₁₆H₂₁NO₂
Molecular Weight: 259.34
Synonyms: None
SMILES: O=C([C@@H]1N[C@@]2([H])CCCC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa: 38.33
Logp: 2.6505
H Acceptors: 3
H Donors: 1
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:
C₁₆H₂₁NO₂
Molecular Weight:
259.34
Synonyms:
None
SMILES:
O=C([C@@H]1N[C@@]2([H])CCCC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa:
38.33
Logp:
2.6505
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁BrO
Molecular Weight: 227.10
Synonyms: None
SMILES: O=C(C)C(Br)CC1=CC=CC=C1
Tpsa: 17.07
Logp: 2.5816
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁BrO
Molecular Weight:
227.10
Synonyms:
None
SMILES:
O=C(C)C(Br)CC1=CC=CC=C1
Tpsa:
17.07
Logp:
2.5816
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO
Molecular Weight: 175.23
Synonyms: None
SMILES: OCCC1=CNC2=C1C=CC=C2C
Tpsa: 36.02
Logp: 2.01112
H Acceptors: 1
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO
Molecular Weight:
175.23
Synonyms:
None
SMILES:
OCCC1=CNC2=C1C=CC=C2C
Tpsa:
36.02
Logp:
2.01112
H Acceptors:
1
H Donors:
2
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: C₆H₁₁NO₆
Molecular Weight: 193.15
Synonyms: None
SMILES: O[C@H]([C@@H](C(O)=O)O[C@@H](N)[C@@H]1O)[C@@H]1O
Tpsa: 133.24
Logp: -3.1627
H Acceptors: 6
H Donors: 5
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:
C₆H₁₁NO₆
Molecular Weight:
193.15
Synonyms:
None
SMILES:
O[C@H]([C@@H](C(O)=O)O[C@@H](N)[C@@H]1O)[C@@H]1O
Tpsa:
133.24
Logp:
-3.1627
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
1