CS-0129859
Benzyl (S)-3-amino-4-phenylbutanoate hydrochloride
Manufacturer: ChemScene
CAS Number: 1329063-33-3
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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
C₁₇H₂₀ClNO₂
Molecular Weight
305.80
Synonyms
None
SMILES
O=C(C[C@@H](N)CC1=CC=CC=C1)OCC2=CC=CC=C2.[H]Cl
Tpsa
52.32
Logp
3.1117
H Acceptors
3
H Donors
1
Rotatable Bonds
6
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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: C₁₇H₂₀ClNO₂
Molecular Weight: 305.80
Synonyms: None
SMILES: O=C(C[C@@H](N)CC1=CC=CC=C1)OCC2=CC=CC=C2.[H]Cl
Tpsa: 52.32
Logp: 3.1117
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₀ClNO₂
Molecular Weight:
305.80
Synonyms:
None
SMILES:
O=C(C[C@@H](N)CC1=CC=CC=C1)OCC2=CC=CC=C2.[H]Cl
Tpsa:
52.32
Logp:
3.1117
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀Cl₃NO₂
Molecular Weight: 282.55
Synonyms: lifitegrast-impurity IV-3
SMILES: O=C(O)C1=C(Cl)C2=C(CNCC2)C=C1Cl.[H]Cl
Tpsa: 49.33
Logp: 2.7591
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀Cl₃NO₂
Molecular Weight:
282.55
Synonyms:
lifitegrast-impurity IV-3
SMILES:
O=C(O)C1=C(Cl)C2=C(CNCC2)C=C1Cl.[H]Cl
Tpsa:
49.33
Logp:
2.7591
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: C₁₄H₁₁NO₃
Molecular Weight: 241.24
Synonyms: 7-Methoxy-5,11-dihydrobenzoxepinopyridin-5-one
SMILES: O=C1C2=CC(OC)=CC=C2OCC3=C1C=CC=N3
Tpsa: 48.42
Logp: 2.2136
H Acceptors: 4
H Donors: 0
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:
C₁₄H₁₁NO₃
Molecular Weight:
241.24
Synonyms:
7-Methoxy-5,11-dihydrobenzoxepinopyridin-5-one
SMILES:
O=C1C2=CC(OC)=CC=C2OCC3=C1C=CC=N3
Tpsa:
48.42
Logp:
2.2136
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00463017
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO
Molecular Weight: 191.27
Synonyms: N-T-Butyl-2-methylbenzamide
SMILES: O=C(NC(C)(C)C)C1=CC=CC=C1C
Tpsa: 29.1
Logp: 2.52332
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD00463017
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇NO
Molecular Weight:
191.27
Synonyms:
N-T-Butyl-2-methylbenzamide
SMILES:
O=C(NC(C)(C)C)C1=CC=CC=C1C
Tpsa:
29.1
Logp:
2.52332
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1