CS-0522154
Benzyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate hydrochloride
Manufacturer: ChemScene
CAS Number: 2101206-40-8
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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
C₁₃H₁₈ClFN₂O₂
Molecular Weight
288.75
Synonyms
benzyl Cis-4-amino-3-fluoropiperidine-1-carboxylate hydrochloride racemate
SMILES
N[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1F.[H]Cl
Tpsa
55.56
Logp
2.1161
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: C₁₃H₁₈ClFN₂O₂
Molecular Weight: 288.75
Synonyms: benzyl Cis-4-amino-3-fluoropiperidine-1-carboxylate hydrochloride racemate
SMILES: N[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1F.[H]Cl
Tpsa: 55.56
Logp: 2.1161
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₈ClFN₂O₂
Molecular Weight:
288.75
Synonyms:
benzyl Cis-4-amino-3-fluoropiperidine-1-carboxylate hydrochloride racemate
SMILES:
N[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@@H]1F.[H]Cl
Tpsa:
55.56
Logp:
2.1161
H Acceptors:
3
H Donors:
1
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: C₁₅H₂₃F₂NO₆
Molecular Weight: 351.34
Synonyms: Tert-butyl 4-(2-ethoxycarbonyloxy-2-oxoethyl)-3,3-difluoropiperidine-1-carboxylate
SMILES: CCOC(=O)OC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(F)F
Tpsa: 82.14
Logp: 2.9685
H Acceptors: 6
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:
C₁₅H₂₃F₂NO₆
Molecular Weight:
351.34
Synonyms:
Tert-butyl 4-(2-ethoxycarbonyloxy-2-oxoethyl)-3,3-difluoropiperidine-1-carboxylate
SMILES:
CCOC(=O)OC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1(F)F
Tpsa:
82.14
Logp:
2.9685
H Acceptors:
6
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: C₁₅H₁₇NO₆
Molecular Weight: 307.30
Synonyms: None
SMILES: O=C(O)C1CC(C(=O)O)CN(C(=O)OCC2=CC=CC=C2)C1
Tpsa: 104.14
Logp: 1.4305
H Acceptors: 4
H Donors: 2
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:
C₁₅H₁₇NO₆
Molecular Weight:
307.30
Synonyms:
None
SMILES:
O=C(O)C1CC(C(=O)O)CN(C(=O)OCC2=CC=CC=C2)C1
Tpsa:
104.14
Logp:
1.4305
H Acceptors:
4
H Donors:
2
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: C₁₄H₁₈FNO₅S
Molecular Weight: 331.36
Synonyms: benzyl Trans-3-fluoro-4-((methylsulfonyl)oxy)piperidine-1-carboxylate racemate
SMILES: CS(=O)(=O)O[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@H]1F
Tpsa: 72.91
Logp: 1.7118
H Acceptors: 5
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:
C₁₄H₁₈FNO₅S
Molecular Weight:
331.36
Synonyms:
benzyl Trans-3-fluoro-4-((methylsulfonyl)oxy)piperidine-1-carboxylate racemate
SMILES:
CS(=O)(=O)O[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C[C@H]1F
Tpsa:
72.91
Logp:
1.7118
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4