CS-1172453
Methyl 7-(hydroxymethyl)isoquinoline-6-carboxylate
Manufacturer: ChemScene
CAS Number: 2830605-27-9
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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
C₁₂H₁₁NO₃
Molecular Weight
217.22
Synonyms
None
SMILES
O=C(C1=CC2=C(C=NC=C2)C=C1CO)OC
Tpsa
59.42
Logp
1.5137
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: C₁₂H₁₁NO₃
Molecular Weight: 217.22
Synonyms: None
SMILES: O=C(C1=CC2=C(C=NC=C2)C=C1CO)OC
Tpsa: 59.42
Logp: 1.5137
H Acceptors: 4
H Donors: 1
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:
C₁₂H₁₁NO₃
Molecular Weight:
217.22
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C=NC=C2)C=C1CO)OC
Tpsa:
59.42
Logp:
1.5137
H Acceptors:
4
H Donors:
1
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: C₆H₇NO₂
Molecular Weight: 125.13
Synonyms: None
SMILES: O=C([C@H]1[C@@H](C#N)CC1)O
Tpsa: 61.09
Logp: 0.62078
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:
C₆H₇NO₂
Molecular Weight:
125.13
Synonyms:
None
SMILES:
O=C([C@H]1[C@@H](C#N)CC1)O
Tpsa:
61.09
Logp:
0.62078
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: C₁₅H₁₃BrN₂O₂
Molecular Weight: 333.18
Synonyms: None
SMILES: O=C(C(C1=CC2=CC=C(Br)C=C2N=C1C)CC3)NC3=O
Tpsa: 59.06
Logp: 2.82592
H Acceptors: 3
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:
C₁₅H₁₃BrN₂O₂
Molecular Weight:
333.18
Synonyms:
None
SMILES:
O=C(C(C1=CC2=CC=C(Br)C=C2N=C1C)CC3)NC3=O
Tpsa:
59.06
Logp:
2.82592
H Acceptors:
3
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: C₆H₉F₂NO₂
Molecular Weight: 165.14
Synonyms: None
SMILES: O=C(O)[C@]1(C)NCC(F)(F)C1
Tpsa: 49.33
Logp: 0.4583
H Acceptors: 2
H Donors: 2
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:
C₆H₉F₂NO₂
Molecular Weight:
165.14
Synonyms:
None
SMILES:
O=C(O)[C@]1(C)NCC(F)(F)C1
Tpsa:
49.33
Logp:
0.4583
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1