CS-0491772
Benzyl L-histidinate
Manufacturer: ChemScene
CAS Number: 46921-20-4
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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
C₁₃H₁₅N₃O₂
Molecular Weight
245.28
Synonyms
L-Histidine Benzyl Ester
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](N)CC2N=CNC=2
Tpsa
81
Logp
1.0229
H Acceptors
4
H Donors
2
Rotatable Bonds
5
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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
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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: C₁₃H₁₅N₃O₂
Molecular Weight: 245.28
Synonyms: L-Histidine Benzyl Ester
SMILES: C1=CC=C(C=C1)COC(=O)[C@@H](N)CC2N=CNC=2
Tpsa: 81
Logp: 1.0229
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₅N₃O₂
Molecular Weight:
245.28
Synonyms:
L-Histidine Benzyl Ester
SMILES:
C1=CC=C(C=C1)COC(=O)[C@@H](N)CC2N=CNC=2
Tpsa:
81
Logp:
1.0229
H Acceptors:
4
H Donors:
2
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: C₁₃H₁₆ClN₃O₂
Molecular Weight: 281.74
Synonyms: None
SMILES: Cl.C1=CC=C(C=C1)COC(=O)[C@@H](N)CC2N=CNC=2
Tpsa: 81
Logp: 1.4447
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₆ClN₃O₂
Molecular Weight:
281.74
Synonyms:
None
SMILES:
Cl.C1=CC=C(C=C1)COC(=O)[C@@H](N)CC2N=CNC=2
Tpsa:
81
Logp:
1.4447
H Acceptors:
4
H Donors:
2
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: C₉H₁₀BrN
Molecular Weight: 212.09
Synonyms: None
SMILES: BrC1=CC(=CN=C1)C2CCC2
Tpsa: 12.89
Logp: 3.1116
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀BrN
Molecular Weight:
212.09
Synonyms:
None
SMILES:
BrC1=CC(=CN=C1)C2CCC2
Tpsa:
12.89
Logp:
3.1116
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂INO₃
Molecular Weight: 355.21
Synonyms: 1-Piperidinecarboxylic acid, 3-(iodomethyl)-3-methoxy-, 1,1-dimethylethyl ester
SMILES: COC1(CI)CN(CCC1)C(=O)OC(C)(C)C
Tpsa: 38.77
Logp: 2.8375
H Acceptors: 3
H Donors: 0
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:
C₁₂H₂₂INO₃
Molecular Weight:
355.21
Synonyms:
1-Piperidinecarboxylic acid, 3-(iodomethyl)-3-methoxy-, 1,1-dimethylethyl ester
SMILES:
COC1(CI)CN(CCC1)C(=O)OC(C)(C)C
Tpsa:
38.77
Logp:
2.8375
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2