CS-1005393
Ethanone, 1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-, hydrochloride 1:2
Manufacturer: ChemScene
CAS Number: 94373-89-4
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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
C₁₆H₂₅ClN₂O₄
Molecular Weight
344.83
Synonyms
None
SMILES
Cl.O=C(N1CCN(CC2=CC=C(OC)C(OC)=C2OC)CC1)C
Tpsa
51.24
Logp
1.7983
H Acceptors
5
H Donors
0
Rotatable Bonds
5
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₆H₂₅ClN₂O₄
Molecular Weight: 344.83
Synonyms: None
SMILES: Cl.O=C(N1CCN(CC2=CC=C(OC)C(OC)=C2OC)CC1)C
Tpsa: 51.24
Logp: 1.7983
H Acceptors: 5
H Donors: 0
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:
C₁₆H₂₅ClN₂O₄
Molecular Weight:
344.83
Synonyms:
None
SMILES:
Cl.O=C(N1CCN(CC2=CC=C(OC)C(OC)=C2OC)CC1)C
Tpsa:
51.24
Logp:
1.7983
H Acceptors:
5
H Donors:
0
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: C₁₉H₂₁N₇O₆
Molecular Weight: 443.41
Synonyms: None
SMILES: O=C1C2=C(N=CC(CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)NC(N)=N1
Tpsa: 211.89
Logp: 0.0084
H Acceptors: 9
H Donors: 7
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₁N₇O₆
Molecular Weight:
443.41
Synonyms:
None
SMILES:
O=C1C2=C(N=CC(CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)NC(N)=N1
Tpsa:
211.89
Logp:
0.0084
H Acceptors:
9
H Donors:
7
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₉NO₃
Molecular Weight: 213.27
Synonyms: None
SMILES: [C@@H](C(O)=O)(CC)N1CC(CCC)CC1=O
Tpsa: 57.61
Logp: 1.4982
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₉NO₃
Molecular Weight:
213.27
Synonyms:
None
SMILES:
[C@@H](C(O)=O)(CC)N1CC(CCC)CC1=O
Tpsa:
57.61
Logp:
1.4982
H Acceptors:
2
H Donors:
1
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: C₄₃H₆₃N₃O₁₄
Molecular Weight: 845.97
Synonyms: None
SMILES: O(C[C@H](CN(C[C@@H](COC1=CC=C(CCC(OC[C@@H]2COC(C)(C)O2)=O)C=C1)O)CCNC(=O)N3CCOCC3)O)C4=CC=C(CCC(OC[C@@H]5COC(C)(C)O5)=O)C=C4
Tpsa: 193.25
Logp: 2.4646
H Acceptors: 15
H Donors: 3
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₃N₃O₁₄
Molecular Weight:
845.97
Synonyms:
None
SMILES:
O(C[C@H](CN(C[C@@H](COC1=CC=C(CCC(OC[C@@H]2COC(C)(C)O2)=O)C=C1)O)CCNC(=O)N3CCOCC3)O)C4=CC=C(CCC(OC[C@@H]5COC(C)(C)O5)=O)C=C4
Tpsa:
193.25
Logp:
2.4646
H Acceptors:
15
H Donors:
3
Rotatable Bonds:
23