CS-0914786
Cyclobenzaprine Impurity 1
Manufacturer: ChemScene
CAS Number: 1614-63-7
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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
C₁₇H₁₄
Molecular Weight
218.29
Synonyms
None
SMILES
C=1C=CC2=C(C1)C=CC=3C=CC=CC3C2=CC
Tpsa
0
Logp
4.622
H Acceptors
0
H Donors
0
Rotatable Bonds
0
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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: C₁₇H₁₄
Molecular Weight: 218.29
Synonyms: None
SMILES: C=1C=CC2=C(C1)C=CC=3C=CC=CC3C2=CC
Tpsa: 0
Logp: 4.622
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₄
Molecular Weight:
218.29
Synonyms:
None
SMILES:
C=1C=CC2=C(C1)C=CC=3C=CC=CC3C2=CC
Tpsa:
0
Logp:
4.622
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₇Cl₂N₂O₂P
Molecular Weight: 275.11
Synonyms: None
SMILES: O=P1(OCCCN1)N(CCCl)CC(Cl)C
Tpsa: 41.57
Logp: 2.2725
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:
C₈H₁₇Cl₂N₂O₂P
Molecular Weight:
275.11
Synonyms:
None
SMILES:
O=P1(OCCCN1)N(CCCl)CC(Cl)C
Tpsa:
41.57
Logp:
2.2725
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: C₃H₁₁ClNO₄P
Molecular Weight: 191.55
Synonyms: None
SMILES: Cl.O=P(O)(O)OCCCN
Tpsa: 92.78
Logp: -0.1337
H Acceptors: 3
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:
C₃H₁₁ClNO₄P
Molecular Weight:
191.55
Synonyms:
None
SMILES:
Cl.O=P(O)(O)OCCCN
Tpsa:
92.78
Logp:
-0.1337
H Acceptors:
3
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: C₂₁H₂₃NO₂
Molecular Weight: 321.41
Synonyms: None
SMILES: O[C@H]1C=2C(C(C=3C([C@@H]1O)=CC=CC3)=C4CCN(C)CC4)=CC=CC2
Tpsa: 43.7
Logp: 3.2945
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃NO₂
Molecular Weight:
321.41
Synonyms:
None
SMILES:
O[C@H]1C=2C(C(C=3C([C@@H]1O)=CC=CC3)=C4CCN(C)CC4)=CC=CC2
Tpsa:
43.7
Logp:
3.2945
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0