CS-0343579
1-Benzyl-2-((1,3-dioxoisoindolin-2-yl)methyl)-1,4-diazabicyclo[2.2.2]octan-1-ium methanesulfonate
Manufacturer: ChemScene
CAS Number: 186348-48-1
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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
C₂₃H₂₇N₃O₅S
Molecular Weight
457.54
Synonyms
methanesulfonic acid, 1-benzyl-2-((1,3-dioxoisoindolin-2-yl)methyl)-1,4-diazabicyclo[2.2.2]octan-1-ium salt
SMILES
O=C1C2=C(C(N1CC3CN4CC[N+]3(CC4)CC5=CC=CC=C5)=O)C=CC=C2.O=S([O-])(C)=O
Tpsa
97.82
Logp
1.1588
H Acceptors
6
H Donors
0
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: C₂₃H₂₇N₃O₅S
Molecular Weight: 457.54
Synonyms: methanesulfonic acid, 1-benzyl-2-((1,3-dioxoisoindolin-2-yl)methyl)-1,4-diazabicyclo[2.2.2]octan-1-ium salt
SMILES: O=C1C2=C(C(N1CC3CN4CC[N+]3(CC4)CC5=CC=CC=C5)=O)C=CC=C2.O=S([O-])(C)=O
Tpsa: 97.82
Logp: 1.1588
H Acceptors: 6
H Donors: 0
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:
C₂₃H₂₇N₃O₅S
Molecular Weight:
457.54
Synonyms:
methanesulfonic acid, 1-benzyl-2-((1,3-dioxoisoindolin-2-yl)methyl)-1,4-diazabicyclo[2.2.2]octan-1-ium salt
SMILES:
O=C1C2=C(C(N1CC3CN4CC[N+]3(CC4)CC5=CC=CC=C5)=O)C=CC=C2.O=S([O-])(C)=O
Tpsa:
97.82
Logp:
1.1588
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD28650939
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₀N₂O₃
Molecular Weight: 216.28
Synonyms: tert-butyl N-(1,4-oxazepan-6-yl)carbamate
SMILES: O=C(OC(C)(C)C)NC1CNCCOC1
Tpsa: 59.59
Logp: 0.4995
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD28650939
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₀N₂O₃
Molecular Weight:
216.28
Synonyms:
tert-butyl N-(1,4-oxazepan-6-yl)carbamate
SMILES:
O=C(OC(C)(C)C)NC1CNCCOC1
Tpsa:
59.59
Logp:
0.4995
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD28543210
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₀N₂O₂
Molecular Weight: 212.29
Synonyms: tert-butyl N-{5-aminospiro[2.3]hexan-1-yl}carbamate
SMILES: O=C(OC(C)(C)C)NC1CC12CC(N)C2
Tpsa: 64.35
Logp: 1.3909
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD28543210
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₀N₂O₂
Molecular Weight:
212.29
Synonyms:
tert-butyl N-{5-aminospiro[2.3]hexan-1-yl}carbamate
SMILES:
O=C(OC(C)(C)C)NC1CC12CC(N)C2
Tpsa:
64.35
Logp:
1.3909
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 96%
MDL No: MFCD06205167
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀N₂O₂
Molecular Weight: 166.18
Synonyms: 4-Aminopyridine-3-carboxylic acid ethyl ester
SMILES: O=C(C1=C(N)C=CN=C1)OCC
Tpsa: 65.21
Logp: 0.8405
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
96%
MDL No:
MFCD06205167
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀N₂O₂
Molecular Weight:
166.18
Synonyms:
4-Aminopyridine-3-carboxylic acid ethyl ester
SMILES:
O=C(C1=C(N)C=CN=C1)OCC
Tpsa:
65.21
Logp:
0.8405
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2