CS-0372338
tert-Butyl 5-bromo-1-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Manufacturer: ChemScene
CAS Number: 1904662-10-7
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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
C₁₅H₂₀BrNO₂
Molecular Weight
326.23
Synonyms
2(1H)-Isoquinolinecarboxylic acid, 5-bromo-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester
SMILES
O=C(N1C(C)C2=C(C(Br)=CC=C2)CC1)OC(C)(C)C
Tpsa
29.54
Logp
4.3033
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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: C₁₅H₂₀BrNO₂
Molecular Weight: 326.23
Synonyms: 2(1H)-Isoquinolinecarboxylic acid, 5-bromo-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester
SMILES: O=C(N1C(C)C2=C(C(Br)=CC=C2)CC1)OC(C)(C)C
Tpsa: 29.54
Logp: 4.3033
H Acceptors: 2
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:
C₁₅H₂₀BrNO₂
Molecular Weight:
326.23
Synonyms:
2(1H)-Isoquinolinecarboxylic acid, 5-bromo-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester
SMILES:
O=C(N1C(C)C2=C(C(Br)=CC=C2)CC1)OC(C)(C)C
Tpsa:
29.54
Logp:
4.3033
H Acceptors:
2
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: C₆H₁₃ClFN
Molecular Weight: 153.63
Synonyms: Rac-(3R,4R)-3-fluoro-4-methylpiperidine hydrochloride
SMILES: C[C@H]1[C@@H](F)CNCC1.[H]Cl
Tpsa: 12.03
Logp: 1.3757
H Acceptors: 1
H Donors: 1
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:
C₆H₁₃ClFN
Molecular Weight:
153.63
Synonyms:
Rac-(3R,4R)-3-fluoro-4-methylpiperidine hydrochloride
SMILES:
C[C@H]1[C@@H](F)CNCC1.[H]Cl
Tpsa:
12.03
Logp:
1.3757
H Acceptors:
1
H Donors:
1
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: C₁₂H₁₃F₃INO₂
Molecular Weight: 387.14
Synonyms: Carbamic acid, N-[2-iodo-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)NC1=CC(C(F)(F)F)=CC=C1I
Tpsa: 38.33
Logp: 4.657
H Acceptors: 2
H Donors: 1
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:
C₁₂H₁₃F₃INO₂
Molecular Weight:
387.14
Synonyms:
Carbamic acid, N-[2-iodo-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)NC1=CC(C(F)(F)F)=CC=C1I
Tpsa:
38.33
Logp:
4.657
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂N₂O₄
Molecular Weight: 306.36
Synonyms: tert-Butyl 4-(3-carboxyphenyl)piperazine-1-carboxylate
SMILES: O=C(N1CCN(C2=CC=CC(C(O)=O)=C2)CC1)OC(C)(C)C
Tpsa: 70.08
Logp: 2.4419
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₂O₄
Molecular Weight:
306.36
Synonyms:
tert-Butyl 4-(3-carboxyphenyl)piperazine-1-carboxylate
SMILES:
O=C(N1CCN(C2=CC=CC(C(O)=O)=C2)CC1)OC(C)(C)C
Tpsa:
70.08
Logp:
2.4419
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2