CS-1001949
β-Amino-4-octylbenzenebutanol hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 168560-42-7
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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
C₁₈H₃₂ClNO
Molecular Weight
313.91
Synonyms
None
SMILES
Cl.OCC(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa
46.25
Logp
4.2636
H Acceptors
2
H Donors
2
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 168560-42-7 | β-Amino-4-octylbenzenebutanolHydrochloride | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₈H₃₂ClNO
Molecular Weight: 313.91
Synonyms: None
SMILES: Cl.OCC(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa: 46.25
Logp: 4.2636
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₂ClNO
Molecular Weight:
313.91
Synonyms:
None
SMILES:
Cl.OCC(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa:
46.25
Logp:
4.2636
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₀F₂O₅
Molecular Weight: 400.46
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C([C@@H](F)C3)(CC(=O)CC4)[H])[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa: 94.83
Logp: 2.6708
H Acceptors: 4
H Donors: 3
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:
C₂₁H₃₀F₂O₅
Molecular Weight:
400.46
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C([C@@H](F)C3)(CC(=O)CC4)[H])[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa:
94.83
Logp:
2.6708
H Acceptors:
4
H Donors:
3
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: C₂₁H₂₆F₂O₅
Molecular Weight: 396.42
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(C(F)=C3)=CC(=O)CC4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa: 94.83
Logp: 2.7161
H Acceptors: 4
H Donors: 3
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:
C₂₁H₂₆F₂O₅
Molecular Weight:
396.42
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](F)([C@@H](O)C1)[C@]4(C)C(C(F)=C3)=CC(=O)CC4)[H])(C[C@@H](C)[C@@]2(C(O)=O)O)[H]
Tpsa:
94.83
Logp:
2.7161
H Acceptors:
4
H Donors:
3
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: C₂₁H₂₈Br₂F₂O₅
Molecular Weight: 558.25
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](C)C3)[H])(C[C@H](F)C4([C@]2(C)CC(Br)C(=O)C4Br)[H])[H]
Tpsa: 94.83
Logp: 3.4176
H Acceptors: 4
H Donors: 3
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:
C₂₁H₂₈Br₂F₂O₅
Molecular Weight:
558.25
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](C)C3)[H])(C[C@H](F)C4([C@]2(C)CC(Br)C(=O)C4Br)[H])[H]
Tpsa:
94.83
Logp:
3.4176
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1