CS-0540088
Methyl (S)-4-(1-acetamidoethyl)benzoate
Manufacturer: ChemScene
CAS Number: 223514-59-8
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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
C₁₂H₁₅NO₃
Molecular Weight
221.25
Synonyms
Benzoic acid, 4-[(1S)-1-(acetylamino)ethyl]-, methyl ester
SMILES
O=C(OC)C1=CC=C([C@@H](NC(C)=O)C)C=C1
Tpsa
55.4
Logp
1.6703
H Acceptors
3
H Donors
1
Rotatable Bonds
3
Related Products
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: C₁₂H₁₅NO₃
Molecular Weight: 221.25
Synonyms: Benzoic acid, 4-[(1S)-1-(acetylamino)ethyl]-, methyl ester
SMILES: O=C(OC)C1=CC=C([C@@H](NC(C)=O)C)C=C1
Tpsa: 55.4
Logp: 1.6703
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:
C₁₂H₁₅NO₃
Molecular Weight:
221.25
Synonyms:
Benzoic acid, 4-[(1S)-1-(acetylamino)ethyl]-, methyl ester
SMILES:
O=C(OC)C1=CC=C([C@@H](NC(C)=O)C)C=C1
Tpsa:
55.4
Logp:
1.6703
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: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C[C@@H](OC)CC1
Tpsa: 47.56
Logp: 2.0786
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:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1C[C@@H](OC)CC1
Tpsa:
47.56
Logp:
2.0786
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: C₇H₁₅ClN₂
Molecular Weight: 162.66
Synonyms: None
SMILES: CN1[C@]2([C@@](C1)(CCNC2)[H])[H].Cl
Tpsa: 15.27
Logp: 0.3317
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₅ClN₂
Molecular Weight:
162.66
Synonyms:
None
SMILES:
CN1[C@]2([C@@](C1)(CCNC2)[H])[H].Cl
Tpsa:
15.27
Logp:
0.3317
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₅ClN₂O₂S
Molecular Weight: 214.71
Synonyms: None
SMILES: S(C)(=O)(=O)N1C[C@@H](CN)CC1.Cl
Tpsa: 63.4
Logp: -0.3516
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:
C₆H₁₅ClN₂O₂S
Molecular Weight:
214.71
Synonyms:
None
SMILES:
S(C)(=O)(=O)N1C[C@@H](CN)CC1.Cl
Tpsa:
63.4
Logp:
-0.3516
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2