CS-0526746
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
Manufacturer: ChemScene
CAS Number: 83454-31-3
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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
C₁₇H₂₃NO₃
Molecular Weight
289.37
Synonyms
Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
SMILES
O=C(C(CO)C1=CC=CC=C1)OC2CC3N(C(C2)CC3)C
Tpsa
49.77
Logp
1.9309
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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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: C₁₇H₂₃NO₃
Molecular Weight: 289.37
Synonyms: Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
SMILES: O=C(C(CO)C1=CC=CC=C1)OC2CC3N(C(C2)CC3)C
Tpsa: 49.77
Logp: 1.9309
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃NO₃
Molecular Weight:
289.37
Synonyms:
Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
SMILES:
O=C(C(CO)C1=CC=CC=C1)OC2CC3N(C(C2)CC3)C
Tpsa:
49.77
Logp:
1.9309
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD26390398
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂ClN₃O₂
Molecular Weight: 289.72
Synonyms: None
SMILES: O=C(C1=CC=NC=C1)NNC(C2=CC=C(C(C)=C2)Cl)=O
Tpsa: 71.09
Logp: 2.11822
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD26390398
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂ClN₃O₂
Molecular Weight:
289.72
Synonyms:
None
SMILES:
O=C(C1=CC=NC=C1)NNC(C2=CC=C(C(C)=C2)Cl)=O
Tpsa:
71.09
Logp:
2.11822
H Acceptors:
3
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: C₁₇H₂₃BrN₂O₄
Molecular Weight: 399.28
Synonyms: 2-(4-Boc-piperazinyl)-2-(4-bromophenyl)acetic acid
SMILES: O=C(N1CCN(C(C2=CC=C(C=C2)Br)C(O)=O)CC1)OC(C)(C)C
Tpsa: 70.08
Logp: 3.1275
H Acceptors: 4
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:
C₁₇H₂₃BrN₂O₄
Molecular Weight:
399.28
Synonyms:
2-(4-Boc-piperazinyl)-2-(4-bromophenyl)acetic acid
SMILES:
O=C(N1CCN(C(C2=CC=C(C=C2)Br)C(O)=O)CC1)OC(C)(C)C
Tpsa:
70.08
Logp:
3.1275
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈INO₂
Molecular Weight: 359.20
Synonyms: (4-Iodo-cyclohexyl)-carbaMic acid benzyl ester
SMILES: O=C(OCC1=CC=CC=C1)NC2CCC(I)CC2
Tpsa: 38.33
Logp: 3.659
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈INO₂
Molecular Weight:
359.20
Synonyms:
(4-Iodo-cyclohexyl)-carbaMic acid benzyl ester
SMILES:
O=C(OCC1=CC=CC=C1)NC2CCC(I)CC2
Tpsa:
38.33
Logp:
3.659
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3