CS-1013867
MORPHOLINE IMPURITY FOR APREPITANT Oxalatae salt
Manufacturer: ChemScene
CAS Number: 1242175-41-2
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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
C₂₂H₂₀F₇NO₆
Molecular Weight
527.39
Synonyms
None
SMILES
C(C(O)=O)(O)=O.O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC=C(F)C=C3
Tpsa
105.09
Logp
4.7837
H Acceptors
5
H Donors
3
Rotatable Bonds
4
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: C₂₂H₂₀F₇NO₆
Molecular Weight: 527.39
Synonyms: None
SMILES: C(C(O)=O)(O)=O.O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC=C(F)C=C3
Tpsa: 105.09
Logp: 4.7837
H Acceptors: 5
H Donors: 3
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:
C₂₂H₂₀F₇NO₆
Molecular Weight:
527.39
Synonyms:
None
SMILES:
C(C(O)=O)(O)=O.O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC=C(F)C=C3
Tpsa:
105.09
Logp:
4.7837
H Acceptors:
5
H Donors:
3
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: C₁₀H₂₂N₂OS
Molecular Weight: 218.36
Synonyms: None
SMILES: N=C(SCCCCCCCCCO)N
Tpsa: 70.1
Logp: 2.33607
H Acceptors: 3
H Donors: 3
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:
C₁₀H₂₂N₂OS
Molecular Weight:
218.36
Synonyms:
None
SMILES:
N=C(SCCCCCCCCCO)N
Tpsa:
70.1
Logp:
2.33607
H Acceptors:
3
H Donors:
3
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: C₁₄H₁₂N₂O
Molecular Weight: 224.26
Synonyms: None
SMILES: N#CCCN1C=CC=C1C(=O)C=2C=CC=CC2
Tpsa: 45.79
Logp: 2.63278
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₂N₂O
Molecular Weight:
224.26
Synonyms:
None
SMILES:
N#CCCN1C=CC=C1C(=O)C=2C=CC=CC2
Tpsa:
45.79
Logp:
2.63278
H Acceptors:
3
H Donors:
0
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: C₁₃H₁₂ClNO
Molecular Weight: 233.69
Synonyms: None
SMILES: O=C(C=1C=CC=CC1)C2=CC=CN2CCCl
Tpsa: 22
Logp: 2.9579
H Acceptors: 2
H Donors: 0
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:
C₁₃H₁₂ClNO
Molecular Weight:
233.69
Synonyms:
None
SMILES:
O=C(C=1C=CC=CC1)C2=CC=CN2CCCl
Tpsa:
22
Logp:
2.9579
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4