CS-1004435
Pitolisant Impurity 2
Manufacturer: ChemScene
CAS Number: 64230-79-1
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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
C₁₁H₁₁ClO₄
Molecular Weight
242.66
Synonyms
None
SMILES
O=C(O)C(C(=O)O)C(C1=CC=C(Cl)C=C1)C
Tpsa
74.6
Logp
2.2289
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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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: C₁₁H₁₁ClO₄
Molecular Weight: 242.66
Synonyms: None
SMILES: O=C(O)C(C(=O)O)C(C1=CC=C(Cl)C=C1)C
Tpsa: 74.6
Logp: 2.2289
H Acceptors: 2
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:
C₁₁H₁₁ClO₄
Molecular Weight:
242.66
Synonyms:
None
SMILES:
O=C(O)C(C(=O)O)C(C1=CC=C(Cl)C=C1)C
Tpsa:
74.6
Logp:
2.2289
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₀O
Molecular Weight: 156.27
Synonyms: None
SMILES: [C@H](C)(C)[C@H]1[C@@H](O)C[C@@H](C)CC1
Tpsa: 20.23
Logp: 2.4395
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₀O
Molecular Weight:
156.27
Synonyms:
None
SMILES:
[C@H](C)(C)[C@H]1[C@@H](O)C[C@@H](C)CC1
Tpsa:
20.23
Logp:
2.4395
H Acceptors:
1
H Donors:
1
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: C₁₉H₃₈N₆O₁₀
Molecular Weight: 510.54
Synonyms: None
SMILES: O=C(N)NC1CC(O)C(OC1OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)CN
Tpsa: 297.27
Logp: -6.5862
H Acceptors: 14
H Donors: 11
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₈N₆O₁₀
Molecular Weight:
510.54
Synonyms:
None
SMILES:
O=C(N)NC1CC(O)C(OC1OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)CN
Tpsa:
297.27
Logp:
-6.5862
H Acceptors:
14
H Donors:
11
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₁ClN₂O₅
Molecular Weight: 416.85
Synonyms: None
SMILES: N#CC1=CC=C2C(=C1)COC2(C3=CC=C(Cl)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa: 119.65
Logp: 3.14068
H Acceptors: 5
H Donors: 3
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:
C₂₁H₂₁ClN₂O₅
Molecular Weight:
416.85
Synonyms:
None
SMILES:
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(Cl)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa:
119.65
Logp:
3.14068
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5