CS-0463063
(R)-4-bromo-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine hydrochloride
Manufacturer: ChemScene
CAS Number: 131100-00-0
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Purity
98%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₂₆BBrClNO₂
Molecular Weight
366.53
Synonyms
(1R)-1-Amino-4-bromobutan-1-ylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester hydrochloride
SMILES
CC1(C)[C@H]2C[C@@H]1[C@@]3(C)[C@@H](C2)OB([C@H](CCCBr)N)O3.Cl
Tpsa
44.48
Logp
3.1781
H Acceptors
3
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 131100-00-0 | 4,6-METHANO-1,3,2-BENZODIOXABOROLE-2-METHAMINE,AR-(3-BROMOPROPYL)BORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER | A2B Chem | -- |
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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: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₆BBrClNO₂
Molecular Weight: 366.53
Synonyms: (1R)-1-Amino-4-bromobutan-1-ylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester hydrochloride
SMILES: CC1(C)[C@H]2C[C@@H]1[C@@]3(C)[C@@H](C2)OB([C@H](CCCBr)N)O3.Cl
Tpsa: 44.48
Logp: 3.1781
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₆BBrClNO₂
Molecular Weight:
366.53
Synonyms:
(1R)-1-Amino-4-bromobutan-1-ylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester hydrochloride
SMILES:
CC1(C)[C@H]2C[C@@H]1[C@@]3(C)[C@@H](C2)OB([C@H](CCCBr)N)O3.Cl
Tpsa:
44.48
Logp:
3.1781
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD19382409
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClNO₂
Molecular Weight: 201.65
Synonyms: 1-(2-AMINO-5-HYDROXYPHENYL)PROPAN-1-ONE HCL
SMILES: CCC(=O)C1=C(C=CC(=C1)O)N.Cl
Tpsa: 63.32
Logp: 1.9889
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD19382409
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClNO₂
Molecular Weight:
201.65
Synonyms:
1-(2-AMINO-5-HYDROXYPHENYL)PROPAN-1-ONE HCL
SMILES:
CCC(=O)C1=C(C=CC(=C1)O)N.Cl
Tpsa:
63.32
Logp:
1.9889
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD19382508
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₂O₂
Molecular Weight: 168.19
Synonyms: 9-Hydroxy-5-Methyl-6.7-diaza-spiro[3,5]non-5-en-8-one
SMILES: CC1=NNC(C(O)C12CCC2)=O
Tpsa: 61.69
Logp: 0.0233
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD19382508
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₂O₂
Molecular Weight:
168.19
Synonyms:
9-Hydroxy-5-Methyl-6.7-diaza-spiro[3,5]non-5-en-8-one
SMILES:
CC1=NNC(C(O)C12CCC2)=O
Tpsa:
61.69
Logp:
0.0233
H Acceptors:
3
H Donors:
2
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: C₁₆H₁₅F₃N₂O
Molecular Weight: 308.30
Synonyms: 1-[4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-ethanone
SMILES: CC(=O)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(F)(F)F)N(C)C
Tpsa: 33.2
Logp: 4.036
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:
C₁₆H₁₅F₃N₂O
Molecular Weight:
308.30
Synonyms:
1-[4-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-ethanone
SMILES:
CC(=O)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(F)(F)F)N(C)C
Tpsa:
33.2
Logp:
4.036
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3