CS-1000462
1-[4-(Acetyloxy)phenyl]-2-[(1,1-dimethylethyl)(phenylmethyl)amino]ethanone
Manufacturer: ChemScene
CAS Number: 112337-35-6
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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
C₂₁H₂₅NO₃
Molecular Weight
339.43
Synonyms
None
SMILES
O=C(OC1=CC=C(C=C1)C(=O)CN(CC=2C=CC=CC2)C(C)(C)C)C
Tpsa
46.61
Logp
4.0953
H Acceptors
4
H Donors
0
Rotatable Bonds
6
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: C₂₁H₂₅NO₃
Molecular Weight: 339.43
Synonyms: None
SMILES: O=C(OC1=CC=C(C=C1)C(=O)CN(CC=2C=CC=CC2)C(C)(C)C)C
Tpsa: 46.61
Logp: 4.0953
H Acceptors: 4
H Donors: 0
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:
C₂₁H₂₅NO₃
Molecular Weight:
339.43
Synonyms:
None
SMILES:
O=C(OC1=CC=C(C=C1)C(=O)CN(CC=2C=CC=CC2)C(C)(C)C)C
Tpsa:
46.61
Logp:
4.0953
H Acceptors:
4
H Donors:
0
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: C₉H₇NO₅S
Molecular Weight: 241.22
Synonyms: None
SMILES: O=C(O)C=1NS(=O)(=O)C=2C=CC=CC2C1O
Tpsa: 103.7
Logp: 0.2897
H Acceptors: 4
H Donors: 3
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:
C₉H₇NO₅S
Molecular Weight:
241.22
Synonyms:
None
SMILES:
O=C(O)C=1NS(=O)(=O)C=2C=CC=CC2C1O
Tpsa:
103.7
Logp:
0.2897
H Acceptors:
4
H Donors:
3
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: C₁₄H₁₆N₂O₂S
Molecular Weight: 276.35
Synonyms: None
SMILES: [C@@H](C)(N1C(C(OCC)=O)=CNC1=S)C2=CC=CC=C2
Tpsa: 47.02
Logp: 3.33169
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:
C₁₄H₁₆N₂O₂S
Molecular Weight:
276.35
Synonyms:
None
SMILES:
[C@@H](C)(N1C(C(OCC)=O)=CNC1=S)C2=CC=CC=C2
Tpsa:
47.02
Logp:
3.33169
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: C₂₂H₁₃BrF₆O₄
Molecular Weight: 535.23
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(=O)CC(O)(C=2C=C(Br)C=C(C2)C(F)(F)F)C(F)(F)F)C=3C=CC=CC13
Tpsa: 74.6
Logp: 6.3422
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₃BrF₆O₄
Molecular Weight:
535.23
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(=O)CC(O)(C=2C=C(Br)C=C(C2)C(F)(F)F)C(F)(F)F)C=3C=CC=CC13
Tpsa:
74.6
Logp:
6.3422
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5