CS-0914041
4-(5-((2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid
Manufacturer: ChemScene
CAS Number: 956344-27-7
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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
C₁₄H₁₉N₃O₃
Molecular Weight
277.32
Synonyms
None
SMILES
O=C(O)CCCC1=NC=2C=C(C=CC2N1C)NCCO
Tpsa
87.38
Logp
1.3848
H Acceptors
5
H Donors
3
Rotatable Bonds
7
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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: C₁₄H₁₉N₃O₃
Molecular Weight: 277.32
Synonyms: None
SMILES: O=C(O)CCCC1=NC=2C=C(C=CC2N1C)NCCO
Tpsa: 87.38
Logp: 1.3848
H Acceptors: 5
H Donors: 3
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:
C₁₄H₁₉N₃O₃
Molecular Weight:
277.32
Synonyms:
None
SMILES:
O=C(O)CCCC1=NC=2C=C(C=CC2N1C)NCCO
Tpsa:
87.38
Logp:
1.3848
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀N₂O₄S
Molecular Weight: 372.44
Synonyms: None
SMILES: O=C1SC(O)(C(=O)N1)CC2=CC=C(OCCC3=NC=C(C=C3)CC)C=C2
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₀N₂O₄S
Molecular Weight:
372.44
Synonyms:
None
SMILES:
O=C1SC(O)(C(=O)N1)CC2=CC=C(OCCC3=NC=C(C=C3)CC)C=C2
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₀H₇₉N₂O₁₅S+
Molecular Weight: 1100.34
Synonyms: None
SMILES: S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OC(CCCCOC(CC[N@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)C)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa: 183.64
Logp: 9.0447
H Acceptors: 15
H Donors: 0
Rotatable Bonds: 25
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₀H₇₉N₂O₁₅S+
Molecular Weight:
1100.34
Synonyms:
None
SMILES:
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OC(CCCCOC(CC[N@+]3(C)[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)C)=O)C)C6=CC(OC)=C(OC)C=C6
Tpsa:
183.64
Logp:
9.0447
H Acceptors:
15
H Donors:
0
Rotatable Bonds:
25
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₉NO₁₁S
Molecular Weight: 727.86
Synonyms: None
SMILES: S(=O)(=O)([O-])C1=CC=CC=C1.C([C@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCC(OCCCCCOC(C=C)=O)=O)C)C3=CC(OC)=C(OC)C=C3
Tpsa: 146.72
Logp: 5.431
H Acceptors: 11
H Donors: 0
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₉NO₁₁S
Molecular Weight:
727.86
Synonyms:
None
SMILES:
S(=O)(=O)([O-])C1=CC=CC=C1.C([C@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCC(OCCCCCOC(C=C)=O)=O)C)C3=CC(OC)=C(OC)C=C3
Tpsa:
146.72
Logp:
5.431
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
17