CS-1004870
Delfaprazine Impurity 1
Manufacturer: ChemScene
CAS Number: 791026-42-1
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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
C₁₇H₁₉ClN₂
Molecular Weight
286.80
Synonyms
None
SMILES
ClC1=CC=C(C(=C1)CC=2C=CC=CC2)N3CCNCC3
Tpsa
15.27
Logp
3.3404
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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: C₁₇H₁₉ClN₂
Molecular Weight: 286.80
Synonyms: None
SMILES: ClC1=CC=C(C(=C1)CC=2C=CC=CC2)N3CCNCC3
Tpsa: 15.27
Logp: 3.3404
H Acceptors: 2
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:
C₁₇H₁₉ClN₂
Molecular Weight:
286.80
Synonyms:
None
SMILES:
ClC1=CC=C(C(=C1)CC=2C=CC=CC2)N3CCNCC3
Tpsa:
15.27
Logp:
3.3404
H Acceptors:
2
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: C₂₅H₃₆NO₆+
Molecular Weight: 446.56
Synonyms: None
SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCO)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa: 66.38
Logp: 3.3985
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₆NO₆+
Molecular Weight:
446.56
Synonyms:
None
SMILES:
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCO)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa:
66.38
Logp:
3.3985
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈O
Molecular Weight: 190.28
Synonyms: None
SMILES: O=C(C1=CC=C(C(=C1)CC)CC)CC
Tpsa: 17.07
Logp: 3.4041
H Acceptors: 1
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:
C₁₃H₁₈O
Molecular Weight:
190.28
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(=C1)CC)CC)CC
Tpsa:
17.07
Logp:
3.4041
H Acceptors:
1
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: C₁₅H₁₆F₃NO₂
Molecular Weight: 299.29
Synonyms: None
SMILES: O=C(N1CCCCC1)CC(=O)CC2=CC(F)=C(F)C=C2F
Tpsa: 37.38
Logp: 2.6181
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:
C₁₅H₁₆F₃NO₂
Molecular Weight:
299.29
Synonyms:
None
SMILES:
O=C(N1CCCCC1)CC(=O)CC2=CC(F)=C(F)C=C2F
Tpsa:
37.38
Logp:
2.6181
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4