CS-0552943
2,3-Dihydroxy-3-(6-methyl-1H-benzo[d]imidazol-2-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 630091-52-0
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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
C₁₁H₁₂N₂O₄
Molecular Weight
236.22
Synonyms
2,3-Dihydroxy-3-(5-methyl-1H-benzoimidazol-2-yl)-propionic acid
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(C(C(=O)O)O)O
Tpsa
106.44
Logp
0.35022
H Acceptors
4
H Donors
4
Rotatable Bonds
3
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SAFETY INFORMATION
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: C₁₁H₁₂N₂O₄
Molecular Weight: 236.22
Synonyms: 2,3-Dihydroxy-3-(5-methyl-1H-benzoimidazol-2-yl)-propionic acid
SMILES: CC1=CC2=C(C=C1)N=C(N2)C(C(C(=O)O)O)O
Tpsa: 106.44
Logp: 0.35022
H Acceptors: 4
H Donors: 4
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:
C₁₁H₁₂N₂O₄
Molecular Weight:
236.22
Synonyms:
2,3-Dihydroxy-3-(5-methyl-1H-benzoimidazol-2-yl)-propionic acid
SMILES:
CC1=CC2=C(C=C1)N=C(N2)C(C(C(=O)O)O)O
Tpsa:
106.44
Logp:
0.35022
H Acceptors:
4
H Donors:
4
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: C₁₂H₁₂ClN₃
Molecular Weight: 233.70
Synonyms: None
SMILES: CN(CC1=CC=CC=C1)C2=CN=CC(=N2)Cl
Tpsa: 29.02
Logp: 2.7664
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₂ClN₃
Molecular Weight:
233.70
Synonyms:
None
SMILES:
CN(CC1=CC=CC=C1)C2=CN=CC(=N2)Cl
Tpsa:
29.02
Logp:
2.7664
H Acceptors:
3
H Donors:
0
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: C₁₆H₁₇N₃O₂
Molecular Weight: 283.33
Synonyms: Benzyl[1-(benzylamino)-2-nitroethenyl]amine
SMILES: C1=CC=C(C=C1)CNC(=C[N+](=O)[O-])NCC2=CC=CC=C2
Tpsa: 67.2
Logp: 2.6416
H Acceptors: 4
H Donors: 2
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:
C₁₆H₁₇N₃O₂
Molecular Weight:
283.33
Synonyms:
Benzyl[1-(benzylamino)-2-nitroethenyl]amine
SMILES:
C1=CC=C(C=C1)CNC(=C[N+](=O)[O-])NCC2=CC=CC=C2
Tpsa:
67.2
Logp:
2.6416
H Acceptors:
4
H Donors:
2
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: C₁₃H₁₈N₂O₃S₂
Molecular Weight: 314.42
Synonyms: 2-amino-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=C(S2)N)C(=O)NC3CCS(=O)(=O)C3
Tpsa: 89.26
Logp: 1.126
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₃S₂
Molecular Weight:
314.42
Synonyms:
2-amino-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES:
C1CCC2=C(C1)C(=C(S2)N)C(=O)NC3CCS(=O)(=O)C3
Tpsa:
89.26
Logp:
1.126
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2